methyl 2-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC)C

InChI

InChI=1S/C29H27N3O5S/c1-17-10-20-13-21(27(33)30-24(20)11-18(17)2)15-32(14-19-8-9-25-26(12-19)37-16-36-25)29(38)31-23-7-5-4-6-22(23)28(34)35-3/h4-13H,14-16H2,1-3H3,(H,30,33)(H,31,38)