(3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(4-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)[C@H]3CCCN(C3)C(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4S/c1-13-10-18-19(11-14(13)2)25-20(24-18)15-4-3-9-26(12-15)21(27)23-17-7-5-16(22)6-8-17/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,23,27)(H,24,25)/t15-/m0/s1