N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(phenylthio)propionamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S2/c1-19-9-10-20(2)24-23(19)26-25(32-24)28(13-6-12-27-14-16-30-17-15-27)22(29)11-18-31-21-7-4-3-5-8-21/h3-5,7-10H,6,11-18H2,1-2H3