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

Systemtic Name: propyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-anilinophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-14-26-19(25)13-12-18(24)23-20(27)22-17-10-8-16(9-11-17)21-15-6-4-3-5-7-15/h3-11,21H,2,12-14H2,1H3,(H2,22,23,24,27)