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

Systemtic Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(1-methyl-4-piperidyl)-piperonyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C

InChI

InChI=1S/C24H29N3O4S/c1-3-29-23(28)18-5-7-19(8-6-18)25-24(32)27(20-10-12-26(2)13-11-20)15-17-4-9-21-22(14-17)31-16-30-21/h4-9,14,20H,3,10-13,15-16H2,1-2H3,(H,25,32)