methyl 4-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]butyric acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O5S/c1-25-17(23)3-2-8-20-19(28)22-9-6-13(7-10-22)18(24)21-14-4-5-15-16(11-14)27-12-26-15/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,28)(H,21,24)