3-methyl-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide

Systemtic Name: 3-methyl-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide Openeye Name: 3-methyl-N-[1-(o-tolylcarbamothioyl)-4-piperidyl]benzamide CAS Name: 3-methyl-N-[1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]benzamide IUPAC Name: 3-methyl-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide Traditional Name: 3-methyl-N-[1-(o-tolylthiocarbamoyl)-4-piperidyl]benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3OS/c1-15-6-5-8-17(14-15)20(25)22-18-10-12-24(13-11-18)21(26)23-19-9-4-3-7-16(19)2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26)