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

Systemtic Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidyl)carbamothioyl]amino]acetate CAS Name: 2-[[[1,3-benzodioxol-5-ylmethyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1,3-benzodioxol-5-ylmethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]acetate Traditional Name: 2-[[(1-methyl-4-piperidyl)-piperonyl-thiocarbamoyl]amino]acetic acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

Isomeric SMILES

CCOC(=O)CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

InChI

InChI=1S/C19H27N3O4S/c1-3-24-18(23)11-20-19(27)22(15-6-8-21(2)9-7-15)12-14-4-5-16-17(10-14)26-13-25-16/h4-5,10,15H,3,6-9,11-13H2,1-2H3,(H,20,27)