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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-piperonyl-thiourea Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-23-22(31)25(10-13-4-5-17-20(6-13)30-12-29-17)11-15-7-14-8-18(27-2)19(28-3)9-16(14)24-21(15)26/h4-9H,10-12H2,1-3H3,(H,23,31)(H,24,26)