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

Systemtic Name: 4-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-morpholinosulfonyl-benzamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S3/c1-3-14-4-5-15(12-19(14)31(26,27)24-8-10-28-11-9-24)20(25)22-16-6-7-17-18(13-16)30-21(23-17)29-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)