4-ethoxy-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-ethoxy-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-ethoxy-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-ethoxy-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-ethoxy-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-ethoxy-N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O4S2/c1-2-29-17-6-3-15(4-7-17)21(27)23-16-5-8-18-19(13-16)31-22(24-18)30-14-20(26)25-9-11-28-12-10-25/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)