1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H22FN3O4S MolecularWeight: 491.533983

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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)NC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O4S/c1-32-21-8-3-17-11-18(25(31)29-22(17)12-21)14-30(26(35)28-20-6-4-19(27)5-7-20)13-16-2-9-23-24(10-16)34-15-33-23/h2-12H,13-15H2,1H3,(H,28,35)(H,29,31)