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

Systemtic Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholinosulfonyl-benzamide CAS Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-morpholinosulfonyl-benzamide Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H21N3O5S3/c1-27-16-6-3-13(11-18(16)31(25,26)23-7-9-28-10-8-23)19(24)21-14-4-5-15-17(12-14)30-20(22-15)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)