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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)OC)C

InChI

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