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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)C

InChI

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