1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-quinolyl]-3-methyl-butan-1-one CAS Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-3-quinolyl]-3-methyl-butan-1-one Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)CC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H33N3O5S/c1-17(2)12-22(33)28-21(16-38-29-30-10-11-32(29)3)31-20-15-26(37-7)25(36-6)14-19(20)27(28)18-8-9-23(34-4)24(13-18)35-5/h8-11,13-15,17H,12,16H2,1-7H3