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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-3-24-17-10-9-16(27-4-2)13-18(17)29-21(24)22-19(25)14-28-15-20(26)23-11-7-5-6-8-12-23/h9-10,13H,3-8,11-12,14-15H2,1-2H3