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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

InChI

InChI=1S/C20H27N3O3S2/c1-3-26-15-8-9-16-17(12-15)28-20(22(16)2)21-18(24)13-27-14-19(25)23-10-6-4-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3