(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-homoveratryl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H30N4O2S/c1-16-6-8-19-20(13-16)27-23(26-19)18-5-4-12-28(15-18)24(31)25-11-10-17-7-9-21(29-2)22(14-17)30-3/h6-9,13-14,18H,4-5,10-12,15H2,1-3H3,(H,25,31)(H,26,27)/t18-/m0/s1