N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylcarbonyl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylcarbonyl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-benzoyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-benzoyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 4-benzoyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-benzoyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]benzamide Formula: C28H22N2O2S3 MolecularWeight: 514.68148

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O2S3/c1-33-23-13-14-24-25(18-23)35-28(29-24)30(16-15-22-8-5-17-34-22)27(32)21-11-9-20(10-12-21)26(31)19-6-3-2-4-7-19/h2-14,17-18H,15-16H2,1H3