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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(2-furfuryl)-1-piperonyl-thiourea Formula: C26H25N3O4S MolecularWeight: 475.5594

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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)NCC5=CC=CO5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C26H25N3O4S/c1-2-17-5-7-22-19(10-17)12-20(25(30)28-22)15-29(26(34)27-13-21-4-3-9-31-21)14-18-6-8-23-24(11-18)33-16-32-23/h3-12H,2,13-16H2,1H3,(H,27,34)(H,28,30)