1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C29H29N3O4S/c1-4-34-23-7-9-25-21(14-23)13-22(28(33)30-25)16-32(15-20-6-10-26-27(12-20)36-17-35-26)29(37)31-24-8-5-18(2)11-19(24)3/h5-14H,4,15-17H2,1-3H3,(H,30,33)(H,31,37)