1-(2-methylphenyl)-3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(1-besylnipecotoyl)amino]-3-(o-tolyl)thiourea Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S2/c1-15-8-5-6-12-18(15)21-20(28)23-22-19(25)16-9-7-13-24(14-16)29(26,27)17-10-3-2-4-11-17/h2-6,8,10-12,16H,7,9,13-14H2,1H3,(H,22,25)(H2,21,23,28)