N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide Openeye Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide CAS Name: N-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-4-[(1H-benzimidazol-2-ylthio)methyl]benzamide IUPAC Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide Traditional Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-[(1H-benzimidazol-2-ylthio)methyl]benzamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C29H31N5OS/c1-21(23-14-16-25(17-15-23)34-18-6-2-3-7-19-34)32-33-28(35)24-12-10-22(11-13-24)20-36-29-30-26-8-4-5-9-27(26)31-29/h4-5,8-17H,2-3,6-7,18-20H2,1H3,(H,30,31)(H,33,35)