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

Systemtic Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-homoveratryl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-32-22-9-10-23-19(16-22)15-20(26(31)29-23)17-30(21-6-4-5-7-21)27(35)28-13-12-18-8-11-24(33-2)25(14-18)34-3/h8-11,14-16,21H,4-7,12-13,17H2,1-3H3,(H,28,35)(H,29,31)