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

Systemtic Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-homoveratryl-thiourea Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H35N3O4S/c1-4-35-23-10-11-24-20(17-23)16-21(27(32)30-24)18-31(22-7-5-6-8-22)28(36)29-14-13-19-9-12-25(33-2)26(15-19)34-3/h9-12,15-17,22H,4-8,13-14,18H2,1-3H3,(H,29,36)(H,30,32)