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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C22H22N2O3S3/c1-5-12-24-19-11-10-18(30(4,26)27)14-20(19)29-22(24)23-21(25)13-16-6-8-17(9-7-16)28-15(2)3/h1,6-11,14-15H,12-13H2,2-4H3