3-methyl-N-[1-(phenethylcarbamothioyl)piperidin-4-yl]benzamide

Systemtic Name: 3-methyl-N-[1-(phenethylcarbamothioyl)piperidin-4-yl]benzamide Openeye Name: 3-methyl-N-[1-(phenethylcarbamothioyl)-4-piperidyl]benzamide CAS Name: 3-methyl-N-[1-[(phenethylamino)-sulfanylidenemethyl]-4-piperidinyl]benzamide IUPAC Name: 3-methyl-N-[1-(phenethylcarbamothioyl)piperidin-4-yl]benzamide Traditional Name: 3-methyl-N-[1-(phenethylthiocarbamoyl)-4-piperidyl]benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-17-6-5-9-19(16-17)21(26)24-20-11-14-25(15-12-20)22(27)23-13-10-18-7-3-2-4-8-18/h2-9,16,20H,10-15H2,1H3,(H,23,27)(H,24,26)