1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-homoveratryl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H35N3O3S/c1-18-9-11-21-16-22(27(32)30-26(21)19(18)2)17-31(23-7-5-6-8-23)28(35)29-14-13-20-10-12-24(33-3)25(15-20)34-4/h9-12,15-16,23H,5-8,13-14,17H2,1-4H3,(H,29,35)(H,30,32)