N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: 5-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-(2-thienyl)valeramide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC(=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S2/c24-16(17-4-2-12-27-17)3-1-5-19(25)21-14-6-7-15-18(13-14)28-20(22-15)23-8-10-26-11-9-23/h2,4,6-7,12-13H,1,3,5,8-11H2,(H,21,25)