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

Systemtic Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C(C=C3NC2=O)C)C)C4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C(C=C3NC2=O)C)C)C4CCCC4

InChI

InChI=1S/C26H31N3O2S/c1-4-31-22-11-9-20(10-12-22)27-26(32)29(21-7-5-6-8-21)16-19-15-23-18(3)13-17(2)14-24(23)28-25(19)30/h9-15,21H,4-8,16H2,1-3H3,(H,27,32)(H,28,30)