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

Systemtic Name: propyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O3S/c1-2-8-20-13(19)7-6-12(18)17-14(21)16-11-5-3-4-10(15)9-11/h3-5,9H,2,6-8H2,1H3,(H2,16,17,18,21)