4-tert-butyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-tert-butyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-tert-butyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-tert-butyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-tert-butyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-tert-butyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C22H22N2O3S2/c1-6-13-24-18-12-11-17(29(5,26)27)14-19(18)28-21(24)23-20(25)15-7-9-16(10-8-15)22(2,3)4/h1,7-12,14H,13H2,2-5H3