2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(4-bromophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-bromobenzyl)-N-methyl-acetamide Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H15BrN2O2S/c1-20(10-12-6-8-13(18)9-7-12)16(21)11-23-17-19-14-4-2-3-5-15(14)22-17/h2-9H,10-11H2,1H3