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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)benzamide Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C24H29N3O4S3/c1-17(2)34(29,30)19-7-4-6-18(16-19)23(28)27(11-10-26-12-14-31-15-13-26)24-25-22-20(32-3)8-5-9-21(22)33-24/h4-9,16-17H,10-15H2,1-3H3