N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)-N-(3-morpholinopropyl)benzamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)SC)C

InChI

InChI=1S/C24H29N3O2S2/c1-17-14-18(2)22-21(15-17)25-24(31-22)27(9-5-8-26-10-12-29-13-11-26)23(28)19-6-4-7-20(16-19)30-3/h4,6-7,14-16H,5,8-13H2,1-3H3