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

Systemtic Name: 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclopentyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=C(C=C4)OCC

InChI

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