4-methylsulfonyl-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-4-methylsulfonyl-benzamide CAS Name: 4-methylsulfonyl-N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-4-methylsulfonylbenzamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-4-mesyl-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCCC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCCC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S2/c1-31(28,29)21-9-7-20(8-10-21)22(27)25-23(30)24-14-11-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H2,24,25,27,30)