2-[(3-methylphenyl)methylsulfanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(m-tolylmethylsulfanyl)acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[(3-methylbenzyl)thio]acetamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S3/c1-12-4-3-5-13(8-12)10-24-11-17(21)20-18-19-15-7-6-14(26(2,22)23)9-16(15)25-18/h3-9H,10-11H2,1-2H3,(H,19,20,21)