2-methoxyethyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-anilinophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-26-13-14-27-19(25)12-11-18(24)23-20(28)22-17-9-7-16(8-10-17)21-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H2,22,23,24,28)