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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenyl-1-(3-pyridylmethyl)thiourea Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N4O3S/c1-31-22-12-18-11-19(24(30)28-21(18)13-23(22)32-2)16-29(15-17-7-6-10-26-14-17)25(33)27-20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,33)(H,28,30)