N-(4,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide Openeye Name: N-(3-allyl-4,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide CAS Name: N-(4,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide IUPAC Name: N-(4,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide Traditional Name: N-(3-allyl-4,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-mesyl-benzamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CC=C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CC=C

InChI

InChI=1S/C20H20N2O3S2/c1-5-12-22-17-13(2)6-7-14(3)18(17)26-20(22)21-19(23)15-8-10-16(11-9-15)27(4,24)25/h5-11H,1,12H2,2-4H3