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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-piperonyl-thiourea Formula: C27H24FN3O3S MolecularWeight: 489.561163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H24FN3O3S/c1-2-17-3-9-23-19(11-17)13-20(26(32)30-23)15-31(27(35)29-22-7-5-21(28)6-8-22)14-18-4-10-24-25(12-18)34-16-33-24/h3-13H,2,14-16H2,1H3,(H,29,35)(H,30,32)