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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyethyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)-3-(2-methoxyethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyethyl)thiourea Traditional Name: 1-(2-furfuryl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)thiourea Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N(CC1=CC=CO1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

COCCNC(=S)N(CC1=CC=CO1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C21H25N3O5S/c1-26-8-6-22-21(30)24(13-16-5-4-7-29-16)12-15-9-14-10-18(27-2)19(28-3)11-17(14)23-20(15)25/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,22,30)(H,23,25)