1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-p-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C27H28N4O4S/c1-4-35-22-9-7-21(8-10-22)29-27(36)31(16-18-6-5-11-28-15-18)17-20-12-19-13-24(33-2)25(34-3)14-23(19)30-26(20)32/h5-15H,4,16-17H2,1-3H3,(H,29,36)(H,30,32)