N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: N-(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-benzylsulfonyl-acetamide CAS Name: N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-benzylsulfonyl-acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CC=C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CC=C

InChI

InChI=1S/C21H22N2O3S2/c1-4-10-23-18-11-15(2)16(3)12-19(18)27-21(23)22-20(24)14-28(25,26)13-17-8-6-5-7-9-17/h4-9,11-12H,1,10,13-14H2,2-3H3