N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-benzylsulfanyl-acetamide CAS Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-2-(benzylthio)acetamide Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S3/c1-3-11-22-17-10-9-16(28(2,24)25)12-18(17)27-20(22)21-19(23)14-26-13-15-7-5-4-6-8-15/h3-10,12H,1,11,13-14H2,2H3