N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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