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

Systemtic Name: 3-phenylpropyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,4-dichlorobenzyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O3S/c22-17-9-8-16(18(23)13-17)14-24-21(29)25-19(26)10-11-20(27)28-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H2,24,25,26,29)