N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(benzylthio)-N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H18N2OS3 MolecularWeight: 398.56472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C20H18N2OS3/c1-3-11-22-17-10-9-16(24-2)12-18(17)26-20(22)21-19(23)14-25-13-15-7-5-4-6-8-15/h1,4-10,12H,11,13-14H2,2H3