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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylthio)propionamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C25H31N3O2S2/c1-19-4-7-21(8-5-19)31-17-10-24(29)28(12-3-11-27-13-15-30-16-14-27)25-26-22-9-6-20(2)18-23(22)32-25/h4-9,18H,3,10-17H2,1-2H3