[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO3S/c1-12(17(21)19-14-5-3-2-4-6-14)22-16(20)11-23-15-9-7-13(18)8-10-15/h7-10,12,14H,2-6,11H2,1H3,(H,19,21)