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

Systemtic Name: ethyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-anilinophenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-2-25-18(24)13-12-17(23)22-19(26)21-16-10-8-15(9-11-16)20-14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3,(H2,21,22,23,26)