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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O3S2/c1-19-5-3-6-22-24(19)26-25(33-22)28(13-4-12-27-14-16-31-17-15-27)23(29)11-18-32-21-9-7-20(30-2)8-10-21/h3,5-10H,4,11-18H2,1-2H3