4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimorpholin-4-ylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimorpholin-4-ylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimorpholinophenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2,4-bis(4-morpholinyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimorpholin-4-ylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2,4-dimorpholinophenyl)butyramide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)N5CCOCC5

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)N5CCOCC5

InChI

InChI=1S/C25H30N4O3S2/c30-24(6-3-17-33-25-27-21-4-1-2-5-23(21)34-25)26-20-8-7-19(28-9-13-31-14-10-28)18-22(20)29-11-15-32-16-12-29/h1-2,4-5,7-8,18H,3,6,9-17H2,(H,26,30)