1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-piperonyl-thiourea Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O4S/c1-2-33-22-8-9-23-18(13-22)12-19(26(32)30-23)15-31(27(36)29-21-6-4-20(28)5-7-21)14-17-3-10-24-25(11-17)35-16-34-24/h3-13H,2,14-16H2,1H3,(H,29,36)(H,30,32)