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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-4-19-9-5-6-10-22(19)30-27(35)31(16-18-8-7-11-28-15-18)17-21-12-20-13-24(33-2)25(34-3)14-23(20)29-26(21)32/h5-15H,4,16-17H2,1-3H3,(H,29,32)(H,30,35)