3-(methylsulfanylmethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(methylsulfanylmethyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-[(methylthio)methyl]-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-[(methylthio)methyl]-N-(2-morpholino-1,3-benzothiazol-6-yl)benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C20H21N3O2S2/c1-26-13-14-3-2-4-15(11-14)19(24)21-16-5-6-17-18(12-16)27-20(22-17)23-7-9-25-10-8-23/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)