ethyl 4-[1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-(1,3-benzodioxol-5-ylcarbamothioyl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-4-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(1,3-benzodioxol-5-ylthiocarbamoyl)-4-piperidyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N3O4S/c1-2-26-21(25)24-11-7-16(8-12-24)15-5-9-23(10-6-15)20(29)22-17-3-4-18-19(13-17)28-14-27-18/h3-4,13,15-16H,2,5-12,14H2,1H3,(H,22,29)