phenethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H18ClFN2O3S MolecularWeight: 408.874223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H18ClFN2O3S/c20-15-12-14(6-7-16(15)21)22-19(27)23-17(24)8-9-18(25)26-11-10-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,22,23,24,27)