4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-3-morpholinosulfonyl-phenyl)butyramide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O4S3/c1-16-8-9-17(15-20(16)32(27,28)25-10-12-29-13-11-25)23-21(26)7-4-14-30-22-24-18-5-2-3-6-19(18)31-22/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,23,26)