methyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-anilinophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O3S/c1-24-17(23)12-11-16(22)21-18(25)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H2,20,21,22,25)