1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-cyclopentyl-3-homoveratryl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCC4)OC

InChI

InChI=1S/C28H35N3O5S/c1-33-23-10-9-18(13-24(23)34-2)11-12-29-28(37)31(21-7-5-6-8-21)17-20-14-19-15-25(35-3)26(36-4)16-22(19)30-27(20)32/h9-10,13-16,21H,5-8,11-12,17H2,1-4H3,(H,29,37)(H,30,32)