2-(4-ethylsulfanylphenyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-ethylsulfanylphenyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-ethylsulfanylphenyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(ethylthio)phenyl]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-ethylsulfanylphenyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-2-[4-(ethylthio)phenyl]-N-(4-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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