(3R)-N-(2-ethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCC[C@H](C2)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H26N4S/c1-3-16-7-4-5-9-18(16)25-22(27)26-12-6-8-17(14-26)21-23-19-11-10-15(2)13-20(19)24-21/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3,(H,23,24)(H,25,27)/t17-/m1/s1