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

Systemtic Name: (E)-3-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-ethanoyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-chloro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-chloro-4-mercaptophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-chloro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-chloro-4-mercapto-phenyl)prop-2-en-1-one Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C=CC2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-12(20)18-7-2-8-19(10-9-18)16(21)6-4-13-3-5-15(22)14(17)11-13/h3-6,11,22H,2,7-10H2,1H3/b6-4+