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Summary Geometry Related PDB entries

41F

Summary

Name:	N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
Formula:	C17 H17 N5 O S
Formal charge:	0
Formula weight:	339.415 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
OpenEye OEToolkits	1.9.2	N-(1,2,3-benzothiadiazol-5-yl)-4-phenyl-piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N2CCN(c1ccccc1)CC2)Nc3cc4nnsc4cc3
InChI	InChI	1.03	InChI=1S/C17H17N5OS/c23-17(18-13-6-7-16-15(12-13)19-20-24-16)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,18,23)
InChIKey	InChI	1.03	FFLVDHOMQBCRBY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4
SMILES	CACTVS	3.385	O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4

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