[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H21BrN2O4S/c1-11(2)7-8-18-16(22)19-14(20)9-23-15(21)10-24-13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,22)