N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methylthio)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)benzamide Formula: C23H20N2OS3 MolecularWeight: 436.6127

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N2OS3/c1-27-17-11-5-3-9-15(17)21(26)25-23-20(14-8-2-6-12-18(14)28-23)22-24-16-10-4-7-13-19(16)29-22/h3-5,7,9-11,13H,2,6,8,12H2,1H3,(H,25,26)