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

Systemtic Name: propyl 4-[(4-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-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=C(C=C1)Br

Isomeric SMILES

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

InChI

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