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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(6-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2S2/c1-19-5-8-21(9-6-19)32-17-2-4-24(30)29(12-3-11-28-13-15-31-16-14-28)25-27-22-10-7-20(26)18-23(22)33-25/h5-10,18H,2-4,11-17H2,1H3