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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-4-(p-tolylthio)butyramide Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)C

InChI

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