N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(ethylthio)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(ethylthio)-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C25H31N3O2S2/c1-4-31-21-8-5-7-20(17-21)24(29)28(12-6-11-27-13-15-30-16-14-27)25-26-23-19(3)18(2)9-10-22(23)32-25/h5,7-10,17H,4,6,11-16H2,1-3H3