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

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(p-tolylthio)propionamide Formula: C21H24N2O2S3 MolecularWeight: 432.62246

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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)OC)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S3/c1-15-4-7-17(8-5-15)27-12-10-20(24)22-21-23(11-13-26-3)18-9-6-16(25-2)14-19(18)28-21/h4-9,14H,10-13H2,1-3H3