N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(3-morpholinopropyl)benzamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-17-6-3-9-20-21(17)24-23(30-20)26(11-5-10-25-12-14-28-15-13-25)22(27)18-7-4-8-19(16-18)29-2/h3-4,6-9,16H,5,10-15H2,1-2H3