N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylthio)butyramide Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S2/c1-20-7-9-23(10-8-20)33-17-4-6-25(31)30(12-5-11-29-13-15-32-16-14-29)27-28-24-19-21(2)18-22(3)26(24)34-27/h7-10,18-19H,4-6,11-17H2,1-3H3