3-methylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-methylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: 3-methylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-methylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c1-5-11-23-18-10-9-15(14(2)3)13-19(18)27-21(23)22-20(24)16-7-6-8-17(12-16)28(4,25)26/h1,6-10,12-14H,11H2,2-4H3