phenethyl 4-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3,5-dichlorophenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H18Cl2N2O3S MolecularWeight: 425.32882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O3S/c20-14-10-15(21)12-16(11-14)22-19(27)23-17(24)6-7-18(25)26-9-8-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,22,23,24,27)