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

Systemtic Name: 4-methoxy-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-methoxy-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-methoxy-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-methoxy-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O4S2/c1-27-16-5-2-14(3-6-16)20(26)22-15-4-7-17-18(12-15)30-21(23-17)29-13-19(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,26)