N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(3-morpholinopropyl)propionamide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O3S2/c1-19-17-23-24(18-20(19)2)34-26(27-23)29(11-4-10-28-12-14-32-15-13-28)25(30)9-16-33-22-7-5-21(31-3)6-8-22/h5-8,17-18H,4,9-16H2,1-3H3