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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)OC)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)OC)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C29H31N3O4S/c1-5-20-8-6-7-9-24(20)31-29(37)32(17-19-10-12-23(34-2)13-11-19)18-22-14-21-15-26(35-3)27(36-4)16-25(21)30-28(22)33/h6-16H,5,17-18H2,1-4H3,(H,30,33)(H,31,37)