2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

InChI

InChI=1S/C19H25N3O2S2/c1-14-7-8-15-16(11-14)26-19(21(15)2)20-17(23)12-25-13-18(24)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12-13H2,1-2H3