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

Systemtic Name: N-(2,5-dimethylphenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-(2,5-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(=C(C=C1)C)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

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

InChI

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