1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 3-(2-furfuryl)-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CO5)C

InChI

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