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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylthiazol-4-yl)methylthio]benzoyl]isonipecotamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O4S2/c1-16-26-20(13-33-16)14-34-21-5-2-18(3-6-21)25(30)28-10-8-17(9-11-28)24(29)27-19-4-7-22-23(12-19)32-15-31-22/h2-7,12-13,17H,8-11,14-15H2,1H3,(H,27,29)