4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-tert-butyl-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-tert-butyl-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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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)CCSC

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)CCSC

InChI

InChI=1S/C22H26N2O3S3/c1-22(2,3)16-8-6-15(7-9-16)20(25)23-21-24(12-13-28-4)18-11-10-17(30(5,26)27)14-19(18)29-21/h6-11,14H,12-13H2,1-5H3