N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methyl-5-methylsulfanyl-benzamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methyl-5-methylsulfanyl-benzamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-methyl-5-(methylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methyl-5-methylsulfanylbenzamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methyl-5-(methylthio)benzamide Formula: C19H25N3OS2 MolecularWeight: 375.5513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C19H25N3OS2/c1-14-7-8-16(24-2)11-17(14)18(23)21-19-20-15(13-25-19)12-22-9-5-3-4-6-10-22/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,21,23)