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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(3-pyridylmethyl)thiourea Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

COCCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C22H26N4O4S/c1-28-8-7-24-22(31)26(13-15-5-4-6-23-12-15)14-17-9-16-10-19(29-2)20(30-3)11-18(16)25-21(17)27/h4-6,9-12H,7-8,13-14H2,1-3H3,(H,24,31)(H,25,27)