N-[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methyl-benzamide

Systemtic Name: N-[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-2-methyl-benzamide CAS Name: N-[1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-2-methylbenzamide IUPAC Name: N-[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide Traditional Name: N-[1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-2-methyl-benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H27N3OS/c1-15-12-16(2)14-19(13-15)24-22(27)25-10-8-18(9-11-25)23-21(26)20-7-5-4-6-17(20)3/h4-7,12-14,18H,8-11H2,1-3H3,(H,23,26)(H,24,27)