1-cyclopentyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea

Systemtic Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-cyclopentyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=CC(=C3)OCC)NC2=O)C4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=CC(=C3)OCC)NC2=O)C4CCCC4

InChI

InChI=1S/C26H31N3O2S/c1-3-18-9-5-8-12-23(18)28-26(32)29(21-10-6-7-11-21)17-20-15-19-16-22(31-4-2)13-14-24(19)27-25(20)30/h5,8-9,12-16,21H,3-4,6-7,10-11,17H2,1-2H3,(H,27,30)(H,28,32)