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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-benzyl-3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-4-20-12-8-9-13-23(20)30-28(35)31(17-19-10-6-5-7-11-19)18-22-14-21-15-25(33-2)26(34-3)16-24(21)29-27(22)32/h5-16H,4,17-18H2,1-3H3,(H,29,32)(H,30,35)