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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-morpholinosulfonyl-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-4-morpholinosulfonyl-benzamide Formula: C25H30N4O5S3 MolecularWeight: 562.7245

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H30N4O5S3/c1-35-20-4-7-22-23(18-20)36-25(26-22)29(9-8-27-10-14-33-15-11-27)24(30)19-2-5-21(6-3-19)37(31,32)28-12-16-34-17-13-28/h2-7,18H,8-17H2,1H3