N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-4-(phenylthio)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-(phenylthio)butyramide Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S3/c1-34(29,30)20-9-10-21-22(18-20)33-24(25-21)27(12-11-26-13-15-31-16-14-26)23(28)8-5-17-32-19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3