4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholinosulfonylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-morpholinosulfonylphenyl)butyramide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O4S3/c25-20(9-4-14-29-21-23-18-7-1-2-8-19(18)30-21)22-16-5-3-6-17(15-16)31(26,27)24-10-12-28-13-11-24/h1-3,5-8,15H,4,9-14H2,(H,22,25)