N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]hex-5-ynamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

InChI

InChI=1S/C19H23N3O2S2/c1-4-7-8-9-17(23)20-14-10-11-15-16(12-14)26-19(21-15)25-13-18(24)22(5-2)6-3/h1,10-12H,5-9,13H2,2-3H3,(H,20,23)