3-phenylpropyl 4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(2,3-dichlorophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2,3-dichlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,3-dichlorophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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