1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(3-methylphenyl)ethyl]thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(3-methylphenyl)ethyl]thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(m-tolyl)ethyl]thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(3-methylphenyl)ethyl]thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(3-methylphenyl)ethyl]thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(m-tolyl)ethyl]thiourea Formula: C29H31N3O4S MolecularWeight: 517.63914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H31N3O4S/c1-19-6-5-7-20(14-19)12-13-32(29(37)30-23-8-10-24(34-2)11-9-23)18-22-15-21-16-26(35-3)27(36-4)17-25(21)31-28(22)33/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,37)(H,31,33)