N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-morpholinosulfonyl-benzamide Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H19N3O4S3/c1-27-19-21-16-7-4-14(12-17(16)28-19)20-18(23)13-2-5-15(6-3-13)29(24,25)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,23)