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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H25N3O5S/c1-27-18-10-14-9-15(20(26)23-17(14)11-19(18)28-2)13-24(6-4-7-25)21(30)22-12-16-5-3-8-29-16/h3,5,8-11,25H,4,6-7,12-13H2,1-2H3,(H,22,30)(H,23,26)