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

Systemtic Name: phenethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-bromophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromophenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S/c20-15-7-4-8-16(13-15)21-19(26)22-17(23)9-10-18(24)25-12-11-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,22,23,26)