3-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-(ethylthio)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-(ethylthio)-N-(6-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(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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