4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-morpholino-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[5-(diethylsulfamoyl)-2-morpholino-phenyl]butyramide Formula: C25H32N4O4S3 MolecularWeight: 548.74098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H32N4O4S3/c1-3-29(4-2)36(31,32)19-11-12-22(28-13-15-33-16-14-28)21(18-19)26-24(30)10-7-17-34-25-27-20-8-5-6-9-23(20)35-25/h5-6,8-9,11-12,18H,3-4,7,10,13-17H2,1-2H3,(H,26,30)