[5-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-[(2-fluorophenyl)carbonylamino]phenyl] benzoate

Systemtic Name: [5-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-[(2-fluorophenyl)carbonylamino]phenyl] benzoate Openeye Name: [5-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-[(2-fluorobenzoyl)amino]phenyl] benzoate CAS Name: benzoic acid [5-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]-2-[[(2-fluorophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [5-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-[(2-fluorobenzoyl)amino]phenyl] benzoate Traditional Name: benzoic acid [5-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]-2-[(2-fluorobenzoyl)amino]phenyl] ester Formula: C30H23FN4O4S MolecularWeight: 554.591423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)SNC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)SNC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H23FN4O4S/c1-19(21-13-11-20(18-32)12-14-21)40-35-30(38)33-23-15-16-26(34-28(36)24-9-5-6-10-25(24)31)27(17-23)39-29(37)22-7-3-2-4-8-22/h2-17,19H,1H3,(H,34,36)(H2,33,35,38)