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Summary

Name:	10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
Formula:	C21 H26 N2 S2
Formal charge:	0
Formula weight:	370.575 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
OpenEye OEToolkits	1.7.2	10-[2-[(1S,2R)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfanyl-phenothiazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C
InChI	InChI	1.03	InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m1/s1
InChIKey	InChI	1.03	KLBQZWRITKRQQV-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.370	CSc1ccc2Sc3ccccc3N(CC[C@H]4CCCCN4C)c2c1
SMILES	CACTVS	3.370	CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
SMILES	OpenEye OEToolkits	1.7.2	CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC

221716

PDB entries from 2024-06-26

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