2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoyl-1,4-diazepan-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-(4-ethanoyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetyl-1,4-diazepan-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1,4-diazepan-1-yl)-2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetyl-1,4-diazepan-1-yl)-2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetyl-1,4-diazepan-1-yl)-2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]prop-2-en-1-one Formula: C22H22BrClN2O2S MolecularWeight: 493.84428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C22H22BrClN2O2S/c1-15(22(28)26-11-5-10-25(12-13-26)16(2)27)17-8-9-21(19(24)14-17)29-20-7-4-3-6-18(20)23/h3-4,6-9,14H,1,5,10-13H2,2H3