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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4SC)C

InChI

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