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

Systemtic Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclohexyl-1-[(2-keto-6-methyl-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=CC(=C3)C)NC2=O)C4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=CC(=C3)C)NC2=O)C4CCCCC4

InChI

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