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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Openeye Name: 3-(4-chlorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(4-chlorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-(4-chlorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]propionamide Formula: C19H18ClN3O5S3 MolecularWeight: 500.01132

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O5S3/c1-29-10-9-22-16-7-4-14(23(25)26)12-17(16)30-19(22)21-18(24)8-11-31(27,28)15-5-2-13(20)3-6-15/h2-7,12H,8-11H2,1H3