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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)-3-phenethyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenethylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethylthiourea Traditional Name: 1-(2-furfuryl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O4S/c1-31-23-14-19-13-20(25(30)28-22(19)15-24(23)32-2)16-29(17-21-9-6-12-33-21)26(34)27-11-10-18-7-4-3-5-8-18/h3-9,12-15H,10-11,16-17H2,1-2H3,(H,27,34)(H,28,30)