N-(3,5-dimethylphenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C21H24N4OS/c1-14-11-15(2)13-16(12-14)22-21(27)24-9-7-17(8-10-24)25-19-6-4-3-5-18(19)23-20(25)26/h3-6,11-13,17H,7-10H2,1-2H3,(H,22,27)(H,23,26)