(3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(4-methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-14-5-10-18-19(12-14)24-20(23-18)15-4-3-11-25(13-15)21(27)22-16-6-8-17(26-2)9-7-16/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,27)(H,23,24)/t15-/m0/s1