O-ethyl [1-[(4-bromophenyl)-ethanoyl-amino]-6-chloranyl-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[(4-bromophenyl)-ethanoyl-amino]-6-chloranyl-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[(N-acetyl-4-bromo-anilino)methyl]-5-chloro-4-oxo-pentyl]sulfanylmethanethioate CAS Name: [[1-(N-acetyl-4-bromoanilino)-6-chloro-5-oxohexan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(N-acetyl-4-bromoanilino)-6-chloro-5-oxohexan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[(N-acetyl-4-bromo-anilino)methyl]-5-chloro-4-keto-pentyl]thio]methanethioic acid O-ethyl ester Formula: C17H21BrClNO3S2 MolecularWeight: 466.84054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)CCl)CN(C1=CC=C(C=C1)Br)C(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)CCl)CN(C1=CC=C(C=C1)Br)C(=O)C

InChI

InChI=1S/C17H21BrClNO3S2/c1-3-23-17(24)25-16(9-8-15(22)10-19)11-20(12(2)21)14-6-4-13(18)5-7-14/h4-7,16H,3,8-11H2,1-2H3