N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)N2CCSC

InChI

InChI=1S/C23H28N2O4S3/c1-16-14-20-21(15-17(16)2)31-23(25(20)11-12-30-4)24-22(26)6-5-13-32(27,28)19-9-7-18(29-3)8-10-19/h7-10,14-15H,5-6,11-13H2,1-4H3