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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylthio)propionamide Formula: C24H28ClN3O2S2 MolecularWeight: 490.08102

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2S2/c1-18-3-6-20(7-4-18)31-16-9-23(29)28(11-2-10-27-12-14-30-15-13-27)24-26-21-8-5-19(25)17-22(21)32-24/h3-8,17H,2,9-16H2,1H3