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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenyl-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-phenyl-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-phenyl-N-[2-(2-thienyl)ethyl]benzamide Formula: C27H22N2OS3 MolecularWeight: 486.67138

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2OS3/c1-31-23-13-14-24-25(18-23)33-27(28-24)29(16-15-22-8-5-17-32-22)26(30)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-14,17-18H,15-16H2,1H3