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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butyramide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O3S2/c1-20-6-3-7-23-25(20)27-26(34-23)29(14-5-13-28-15-17-32-18-16-28)24(30)8-4-19-33-22-11-9-21(31-2)10-12-22/h3,6-7,9-12H,4-5,8,13-19H2,1-2H3