ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)piperidine-1-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)piperidine-1-carboxylate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)piperidine-1-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)piperidine-1-carboxylic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4S/c1-2-21-16(20)19-7-5-11(6-8-19)17-15(24)18-12-3-4-13-14(9-12)23-10-22-13/h3-4,9,11H,2,5-8,10H2,1H3,(H2,17,18,24)