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

Systemtic Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-benzyl-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)[C@H]3CCCN(C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-15-11-19-20(12-16(15)2)25-21(24-19)18-9-6-10-26(14-18)22(27)23-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,18H,6,9-10,13-14H2,1-2H3,(H,23,27)(H,24,25)/t18-/m0/s1