N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC#C)OC

InChI

InChI=1S/C22H22N2O5S2/c1-4-12-24-17-14-18(28-2)19(29-3)15-20(17)30-22(24)23-21(25)11-8-13-31(26,27)16-9-6-5-7-10-16/h1,5-7,9-10,14-15H,8,11-13H2,2-3H3