N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC#C

InChI

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