N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(p-tolylthio)propionamide Formula: C22H26N2OS3 MolecularWeight: 430.64964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CCSC

InChI

InChI=1S/C22H26N2OS3/c1-15-5-7-18(8-6-15)27-11-9-20(25)23-22-24(10-12-26-4)19-14-16(2)13-17(3)21(19)28-22/h5-8,13-14H,9-12H2,1-4H3