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

Systemtic Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-cyclohexyl-3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C4CCCCC4

InChI

InChI=1S/C27H33N3O3S/c1-4-18-10-8-9-13-22(18)29-27(34)30(21-11-6-5-7-12-21)17-20-14-19-15-24(32-2)25(33-3)16-23(19)28-26(20)31/h8-10,13-16,21H,4-7,11-12,17H2,1-3H3,(H,28,31)(H,29,34)