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

Systemtic Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenyl-piperidine-1-carbothioamide Openeye Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenyl-piperidine-1-carbothioamide CAS Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenyl-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide Traditional Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenyl-piperidine-1-carbothioamide Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S/c1-14-11-18-19(12-15(14)2)24-20(23-18)16-7-6-10-25(13-16)21(26)22-17-8-4-3-5-9-17/h3-5,8-9,11-12,16H,6-7,10,13H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1