methyl 2-[2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylcarbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylcarbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[2-[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylcarbothioylamino]phenyl]acetate CAS Name: 2-[2-[[[[2-(4-bromophenyl)-2-oxoethyl]thio]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[2-(4-bromophenyl)-2-oxoethyl]sulfanylcarbothioylamino]phenyl]acetate Traditional Name: 2-[2-[[[2-(4-bromophenyl)-2-keto-ethyl]thio]carbothioylamino]phenyl]acetic acid methyl ester Formula: C18H16BrNO3S2 MolecularWeight: 438.35854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=CC=C1NC(=S)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CC1=CC=CC=C1NC(=S)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H16BrNO3S2/c1-23-17(22)10-13-4-2-3-5-15(13)20-18(24)25-11-16(21)12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,24)