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

Systemtic Name: 3-phenylpropyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c21-16-9-4-10-17(14-16)22-20(27)23-18(24)11-12-19(25)26-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14H,5,8,11-13H2,(H2,22,23,24,27)