methyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(1-methyl-4-piperidyl)-piperonyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C23H27N3O4S/c1-25-11-9-17(10-12-25)26(14-16-7-8-20-21(13-16)30-15-29-20)23(31)24-19-6-4-3-5-18(19)22(27)28-2/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,31)