1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-homoveratryl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

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