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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=CC=CC=C3S2)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=CC=CC=C3S2)CCSC

InChI

InChI=1S/C21H24N2O4S3/c1-27-16-9-11-17(12-10-16)30(25,26)15-5-8-20(24)22-21-23(13-14-28-2)18-6-3-4-7-19(18)29-21/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3