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

Systemtic Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-(2-fluorophenyl)thiourea Formula: C21H25FN4O3S2 MolecularWeight: 464.576603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=S)NC3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN4O3S2/c1-14-7-8-17(13-15(14)2)31(28,29)26-11-9-16(10-12-26)20(27)24-25-21(30)23-19-6-4-3-5-18(19)22/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)(H2,23,25,30)