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

Systemtic Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Openeye Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide CAS Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenethyl-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenethylpiperidine-1-carbothioamide Traditional Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)[C@H]3CCCN(C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4S/c1-16-13-20-21(14-17(16)2)26-22(25-20)19-9-6-12-27(15-19)23(28)24-11-10-18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12,15H2,1-2H3,(H,24,28)(H,25,26)/t19-/m0/s1