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

Systemtic Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H31N3O3S/c1-31-23-15-19-14-20(25(30)28-22(19)16-24(23)32-2)17-29(21-10-6-7-11-21)26(33)27-13-12-18-8-4-3-5-9-18/h3-5,8-9,14-16,21H,6-7,10-13,17H2,1-2H3,(H,27,33)(H,28,30)