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

Systemtic Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C20H23FN4O4S2 MolecularWeight: 466.549423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O4S2/c1-29-17-4-2-3-16(13-17)22-20(30)24-23-19(26)14-9-11-25(12-10-14)31(27,28)18-7-5-15(21)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,26)(H2,22,24,30)