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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(3-morpholinopropyl)acetamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]-N-(3-morpholinopropyl)acetamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CSC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O3S2/c1-18-15-22-23(16-19(18)2)33-25(26-22)28(10-4-9-27-11-13-31-14-12-27)24(29)17-32-21-7-5-20(30-3)6-8-21/h5-8,15-16H,4,9-14,17H2,1-3H3