N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylthio)butyramide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3O2S2/c1-20-9-11-21(12-10-20)31-19-4-8-24(29)28(14-5-13-27-15-17-30-18-16-27)25-26-22-6-2-3-7-23(22)32-25/h2-3,6-7,9-12H,4-5,8,13-19H2,1H3