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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O5S/c1-7-8-9-22(33)28-21(17-38-29-30-12-13-32(29)2)31-20-16-26(37-6)25(36-5)15-19(20)27(28)18-10-11-23(34-3)24(14-18)35-4/h10-16H,7-9,17H2,1-6H3