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

Systemtic Name: phenethyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-26-17-8-7-15(13-16(17)21)22-20(28)23-18(24)9-10-19(25)27-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,22,23,24,28)