1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 3-(2-furfuryl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5)C

InChI

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