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

Systemtic Name: 4-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-(ethylthio)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 4-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-(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=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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