N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: N-(3-allyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(benzenesulfonyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-besyl-butyramide Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-4-14-24-20-17(28-2)12-13-18(29-3)21(20)30-22(24)23-19(25)11-8-15-31(26,27)16-9-6-5-7-10-16/h4-7,9-10,12-13H,1,8,11,14-15H2,2-3H3