N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-(3-allyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-3-benzylsulfonyl-propanamide CAS Name: N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(3-allyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-3-benzylsulfonyl-propionamide Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC=C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC=C

InChI

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