4-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O3S2/c1-20-6-11-23-24(19-20)34-26(27-23)29(13-4-12-28-14-16-32-17-15-28)25(30)5-3-18-33-22-9-7-21(31-2)8-10-22/h6-11,19H,3-5,12-18H2,1-2H3