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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfanyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(p-tolylthio)propionamide Formula: C21H24N2O3S4 MolecularWeight: 480.68686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C21H24N2O3S4/c1-15-4-6-16(7-5-15)28-12-10-20(24)22-21-23(11-13-27-2)18-9-8-17(30(3,25)26)14-19(18)29-21/h4-9,14H,10-13H2,1-3H3