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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]butyramide Formula: C25H26N2O2S4 MolecularWeight: 514.74614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H26N2O2S4/c1-29-18-10-12-20(13-11-18)32-17-5-9-23(28)27(15-14-19-6-4-16-31-19)25-26-24-21(30-2)7-3-8-22(24)33-25/h3-4,6-8,10-13,16H,5,9,14-15,17H2,1-2H3