phenethyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,4-dichlorobenzyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O3S/c21-16-7-6-15(17(22)12-16)13-23-20(28)24-18(25)8-9-19(26)27-11-10-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,23,24,25,28)