(3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(3-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCCN(C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4S/c1-13-7-8-17-18(10-13)24-19(23-17)14-4-3-9-25(12-14)20(26)22-16-6-2-5-15(21)11-16/h2,5-8,10-11,14H,3-4,9,12H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1