4-(4-methylphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-(p-tolylthio)-N-[2-(2-thienyl)ethyl]butyramide Formula: C25H26N2OS4 MolecularWeight: 498.74674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H26N2OS4/c1-18-10-12-20(13-11-18)31-17-5-9-23(28)27(15-14-19-6-4-16-30-19)25-26-24-21(29-2)7-3-8-22(24)32-25/h3-4,6-8,10-13,16H,5,9,14-15,17H2,1-2H3