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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C25H30ClN3O2S2/c1-19-8-10-20(11-9-19)32-18-3-7-23(30)29(13-4-12-28-14-16-31-17-15-28)25-27-24-21(26)5-2-6-22(24)33-25/h2,5-6,8-11H,3-4,7,12-18H2,1H3