2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 2-(ethylthio)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 2-(ethylthio)-N-(4-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide Formula: C23H22N2O3S4 MolecularWeight: 502.69238

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H22N2O3S4/c1-3-29-18-10-5-4-9-17(18)22(26)25(14-13-16-8-7-15-30-16)23-24-21-19(31-23)11-6-12-20(21)32(2,27)28/h4-12,15H,3,13-14H2,1-2H3