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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4OC)C

InChI

InChI=1S/C26H31N3O2S/c1-17-13-18(2)21-15-19(25(30)27-23(21)14-17)16-29(20-9-5-4-6-10-20)26(32)28-22-11-7-8-12-24(22)31-3/h7-8,11-15,20H,4-6,9-10,16H2,1-3H3,(H,27,30)(H,28,32)