N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]-1,3-benzothiazole-2-carboxamide Formula: C21H18N2O3S3 MolecularWeight: 442.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C21H18N2O3S3/c1-14-8-10-15(11-9-14)29(25,26)19(18-7-4-12-27-18)13-22-20(24)21-23-16-5-2-3-6-17(16)28-21/h2-12,19H,13H2,1H3,(H,22,24)