N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-phenylsulfanyl-butanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanylbutanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(phenylthio)butyramide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S2/c1-30-20-10-11-23-22(19-20)26-25(33-23)28(13-6-12-27-14-16-31-17-15-27)24(29)9-5-18-32-21-7-3-2-4-8-21/h2-4,7-8,10-11,19H,5-6,9,12-18H2,1H3