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

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

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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)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N4O3S/c1-33-24-14-21-13-22(26(32)30-23(21)15-25(24)34-2)18-31(17-20-9-6-11-28-16-20)27(35)29-12-10-19-7-4-3-5-8-19/h3-9,11,13-16H,10,12,17-18H2,1-2H3,(H,29,35)(H,30,32)