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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea Traditional Name: 3-ethyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-4-24-23(32)26(11-14-5-6-18-21(7-14)31-13-30-18)12-16-8-15-9-19(28-2)20(29-3)10-17(15)25-22(16)27/h5-10H,4,11-13H2,1-3H3,(H,24,32)(H,25,27)