N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-phenylsulfanyl-butanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanylbutanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(phenylthio)butyramide Formula: C25H30ClN3O2S2 MolecularWeight: 504.1076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

InChI

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