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

Systemtic Name: 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide CAS Name: 1-[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-[(2-methylthiazol-4-yl)methylthio]propanoyl]isonipecotamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-16-23-19(15-28-16)14-27-12-9-20(25)24-10-7-18(8-11-24)21(26)22-13-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,22,26)