1-(4-ethanoyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one

Systemtic Name: 1-(4-ethanoyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one Openeye Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one CAS Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-propanone IUPAC Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propan-1-one Traditional Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propan-1-one Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H33N3O3S/c1-21(32)29-17-4-18-30(20-19-29)28(33)16-10-24-9-15-27(22-5-11-25(34-2)12-6-22)31(24)23-7-13-26(35-3)14-8-23/h5-9,11-15H,4,10,16-20H2,1-3H3