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

Systemtic Name: methyl 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(2-chlorobenzoyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-chlorobenzoyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(2-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=C2Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)F)NC(=S)NC(=O)C2=CC=CC=C2Cl

InChI

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