N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylthio)propionamide Formula: C25H30ClN3O2S2 MolecularWeight: 504.1076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC(=C4S3)Cl)C

InChI

InChI=1S/C25H30ClN3O2S2/c1-18-4-7-20(8-5-18)32-17-10-22(30)29(12-3-11-28-13-15-31-16-14-28)25-27-23-19(2)6-9-21(26)24(23)33-25/h4-9H,3,10-17H2,1-2H3