ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)piperidine-1-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)piperidine-1-carboxylate CAS Name: 4-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)piperidine-1-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)piperidine-1-carboxylic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H23N3O4S/c1-2-22-17(21)20-7-5-12(6-8-20)18-16(25)19-13-3-4-14-15(11-13)24-10-9-23-14/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,25)