4-[3-(4-azanylbutyl)-2-oxidanylidene-benzimidazol-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]piperidine-1-carbothioamide

Systemtic Name: 4-[3-(4-azanylbutyl)-2-oxidanylidene-benzimidazol-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]piperidine-1-carbothioamide Openeye Name: 4-[3-(4-aminobutyl)-2-oxo-benzimidazol-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]piperidine-1-carbothioamide CAS Name: 4-[3-(4-aminobutyl)-2-oxo-1-benzimidazolyl]-N-[(4-chlorophenyl)-phenylmethyl]-1-piperidinecarbothioamide IUPAC Name: 4-[3-(4-aminobutyl)-2-oxobenzimidazol-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]piperidine-1-carbothioamide Traditional Name: 4-[3-(4-aminobutyl)-2-keto-benzimidazol-1-yl]-N-[(4-chlorophenyl)-phenyl-methyl]piperidine-1-carbothioamide Formula: C30H34ClN5OS MolecularWeight: 548.14186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCCN)C(=S)NC(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCCN)C(=S)NC(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H34ClN5OS/c31-24-14-12-23(13-15-24)28(22-8-2-1-3-9-22)33-29(38)34-20-16-25(17-21-34)36-27-11-5-4-10-26(27)35(30(36)37)19-7-6-18-32/h1-5,8-15,25,28H,6-7,16-21,32H2,(H,33,38)