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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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