N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butanamide CAS Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butyramide Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C)OC

InChI

InChI=1S/C23H26N2O5S2/c1-4-12-25-18-14-19(29-2)20(30-3)15-21(18)31-23(25)24-22(26)11-8-13-32(27,28)16-17-9-6-5-7-10-17/h4-7,9-10,14-15H,1,8,11-13,16H2,2-3H3