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

Systemtic Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Openeye Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide CAS Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-phenethyl-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-phenethylpiperidine-1-carbothioamide Traditional Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4S/c1-16-9-10-19-20(14-16)25-21(24-19)18-8-5-13-26(15-18)22(27)23-12-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,23,27)(H,24,25)/t18-/m0/s1