4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-[3-allyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-tosyl-butyramide Formula: C22H24N2O3S3 MolecularWeight: 460.63256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC=C

InChI

InChI=1S/C22H24N2O3S3/c1-4-13-24-19-12-9-17(28-3)15-20(19)29-22(24)23-21(25)6-5-14-30(26,27)18-10-7-16(2)8-11-18/h4,7-12,15H,1,5-6,13-14H2,2-3H3