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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-16-7-8-17-18(13-16)29-21(24(17)11-12-27-2)22-19(25)14-28-15-20(26)23-9-5-3-4-6-10-23/h7-8,13H,3-6,9-12,14-15H2,1-2H3