propyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-benzamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-benzamidophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-13-28-19(26)12-11-18(25)24-21(29)23-17-10-6-9-16(14-17)22-20(27)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,22,27)(H2,23,24,25,29)