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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-morpholinosulfonyl-benzamide Formula: C23H28N4O4S3 MolecularWeight: 520.68782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28N4O4S3/c1-25(2)10-11-27(23-24-20-9-6-18(32-3)16-21(20)33-23)22(28)17-4-7-19(8-5-17)34(29,30)26-12-14-31-15-13-26/h4-9,16H,10-15H2,1-3H3