1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furanylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2-furfuryl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C25H23N3O5S MolecularWeight: 477.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C25H23N3O5S/c1-30-19-6-5-17-10-18(24(29)27-21(17)11-19)14-28(25(34)26-12-20-3-2-8-31-20)13-16-4-7-22-23(9-16)33-15-32-22/h2-11H,12-15H2,1H3,(H,26,34)(H,27,29)