4-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(m-tolylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(m-tolylthiocarbamoyl)piperazino]sulfonylbenzamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H22N4O3S2/c1-14-3-2-4-16(13-14)21-19(27)22-9-11-23(12-10-22)28(25,26)17-7-5-15(6-8-17)18(20)24/h2-8,13H,9-12H2,1H3,(H2,20,24)(H,21,27)