1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

CC(C)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C25H29N3O5S/c1-15(2)11-26-25(34)28(12-16-5-6-20-23(7-16)33-14-32-20)13-18-8-17-9-21(30-3)22(31-4)10-19(17)27-24(18)29/h5-10,15H,11-14H2,1-4H3,(H,26,34)(H,27,29)