N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(2-methylthiazol-4-yl)methylthio]propanoyl]isonipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4S2/c1-14-22-17(12-30-14)11-29-9-6-20(25)24-7-4-15(5-8-24)21(26)23-16-2-3-18-19(10-16)28-13-27-18/h2-3,10,12,15H,4-9,11,13H2,1H3,(H,23,26)