4-bromanyl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-bromanyl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-bromo-3-nitro-benzamide CAS Name: 4-bromo-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-bromo-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-bromo-3-nitro-benzamide Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O3S/c17-14-7-6-13(10-15(14)19(21)22)16(20)18-8-9-23-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)