N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(benzenesulfonyl)-N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-besyl-N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C20H22N2O3S3/c1-15-8-9-17-18(14-15)27-20(22(17)11-12-26-2)21-19(23)10-13-28(24,25)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3