N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(p-tolylthio)butyramide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

InChI

InChI=1S/C22H26N2O4S3/c1-16-6-8-17(9-7-16)29-14-4-5-21(25)23-22-24(12-13-28-2)19-11-10-18(31(3,26)27)15-20(19)30-22/h6-11,15H,4-5,12-14H2,1-3H3