N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(benzylthio)-N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CSCC3=CC=CC=C3)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CSCC3=CC=CC=C3)N2CC#C

InChI

InChI=1S/C21H20N2O3S2/c1-4-12-23-19-16(25-2)10-11-17(26-3)20(19)28-21(23)22-18(24)14-27-13-15-8-6-5-7-9-15/h1,5-11H,12-14H2,2-3H3