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

Systemtic Name: 4-(4-chlorophenyl)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-(4-chlorophenyl)sulfonyl-butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[6-(methylthio)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-chlorophenyl)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-(4-chlorophenyl)sulfonyl-butyramide Formula: C21H21ClN2O3S3 MolecularWeight: 481.05104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC=C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC=C

InChI

InChI=1S/C21H21ClN2O3S3/c1-3-12-24-18-11-8-16(28-2)14-19(18)29-21(24)23-20(25)5-4-13-30(26,27)17-9-6-15(22)7-10-17/h3,6-11,14H,1,4-5,12-13H2,2H3