N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)N2CCSC

InChI

InChI=1S/C22H26N2O4S3/c1-15-13-19-20(14-16(15)2)30-22(24(19)10-11-29-4)23-21(25)9-12-31(26,27)18-7-5-17(28-3)6-8-18/h5-8,13-14H,9-12H2,1-4H3