N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-2-phenylsulfanyl-acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-2-(phenylthio)acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-2-(phenylthio)acetamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H22BrN3O2S2/c22-16-6-7-18-19(14-16)29-21(23-18)25(9-8-24-10-12-27-13-11-24)20(26)15-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2