2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O2S2/c1-20-14-8-4-5-9-15(14)25-18(20)19-16(22)12-24-13-17(23)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3