3-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-tosyl-propionamide Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C20H21N3O5S3/c1-14-3-6-16(7-4-14)31(27,28)12-9-19(24)21-20-22(10-11-29-2)17-8-5-15(23(25)26)13-18(17)30-20/h3-8,13H,9-12H2,1-2H3