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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

C#CCN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O2S2/c1-2-11-23-16-9-5-6-10-17(16)27-20(23)21-18(24)14-26-15-19(25)22-12-7-3-4-8-13-22/h1,5-6,9-10H,3-4,7-8,11-15H2