(E)-3-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoylazepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoylazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylazepan-1-yl)-3-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-azepanyl)-3-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylazepan-1-yl)-3-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylazepan-1-yl)-3-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]prop-2-en-1-one Formula: C23H23BrClNO2S MolecularWeight: 492.85622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

Isomeric SMILES

CC(=O)C1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C23H23BrClNO2S/c1-16(27)18-5-4-13-26(14-12-18)23(28)11-9-17-8-10-22(20(25)15-17)29-21-7-3-2-6-19(21)24/h2-3,6-11,15,18H,4-5,12-14H2,1H3/b11-9+