N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(benzylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)SCC3=CC=CC=C3

InChI

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