1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furanylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2-furfuryl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C25H23N3O4S/c1-16-4-2-5-18-11-19(24(29)27-23(16)18)14-28(25(33)26-12-20-6-3-9-30-20)13-17-7-8-21-22(10-17)32-15-31-21/h2-11H,12-15H2,1H3,(H,26,33)(H,27,29)