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

Systemtic Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-3-(o-tolyl)thiourea Formula: C20H23FN4O3S2 MolecularWeight: 450.550023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O3S2/c1-14-5-2-3-7-18(14)22-20(29)24-23-19(26)15-6-4-12-25(13-15)30(27,28)17-10-8-16(21)9-11-17/h2-3,5,7-11,15H,4,6,12-13H2,1H3,(H,23,26)(H2,22,24,29)