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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]hexan-1-one Openeye Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-quinolyl]hexan-1-one CAS Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinyl]-1-hexanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]hexan-1-one Traditional Name: 1-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-3-quinolyl]hexan-1-one Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O5S/c1-7-8-9-10-23(34)29-22(18-39-30-31-13-14-33(30)2)32-21-17-27(38-6)26(37-5)16-20(21)28(29)19-11-12-24(35-3)25(15-19)36-4/h11-17H,7-10,18H2,1-6H3