methyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(3-chlorobenzoyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(3-chlorobenzoyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(3-chlorobenzoyl)thiocarbamoylamino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C18H16ClFN2O3S MolecularWeight: 394.847643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)F)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)F)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H16ClFN2O3S/c1-25-17(24)15(9-11-5-7-14(20)8-6-11)21-18(26)22-16(23)12-3-2-4-13(19)10-12/h2-8,10,15H,9H2,1H3,(H2,21,22,23,26)