1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2,4-dimethylphenyl)thiourea

Systemtic Name: 1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2,4-dimethylphenyl)thiourea Openeye Name: 1-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2,4-dimethylphenyl)thiourea CAS Name: 1-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(2,4-dimethylphenyl)thiourea IUPAC Name: 1-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2,4-dimethylphenyl)thiourea Traditional Name: 1-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-3-(2,4-dimethylphenyl)thiourea Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H25ClN4O3S2/c1-14-3-8-19(15(2)13-14)23-21(30)25-24-20(27)16-9-11-26(12-10-16)31(28,29)18-6-4-17(22)5-7-18/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)(H2,23,25,30)