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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfonylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-esyl-benzamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O3S3/c1-3-33(29,30)21-11-7-4-8-17(21)23(28)27-25-22(16-13-12-15(2)14-20(16)32-25)24-26-18-9-5-6-10-19(18)31-24/h4-11,15H,3,12-14H2,1-2H3,(H,27,28)