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

Systemtic Name: 3-bromanyl-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-bromo-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-bromo-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-bromo-N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H18BrN3O3S2/c21-14-3-1-2-13(10-14)19(26)22-15-4-5-16-17(11-15)29-20(23-16)28-12-18(25)24-6-8-27-9-7-24/h1-5,10-11H,6-9,12H2,(H,22,26)