N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(ethylthio)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(ethylthio)-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC(=C4S3)C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC(=C4S3)C)C

InChI

InChI=1S/C25H31N3O2S2/c1-4-31-21-10-8-20(9-11-21)24(29)28(13-5-12-27-14-16-30-17-15-27)25-26-22-18(2)6-7-19(3)23(22)32-25/h6-11H,4-5,12-17H2,1-3H3