4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(=NCC1)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5OS/c27-20(26-25-19-8-2-1-5-13-22-19)16-11-9-15(10-12-16)14-28-21-23-17-6-3-4-7-18(17)24-21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,22,25)(H,23,24)(H,26,27)