N-(4-cyclopentylsulfanylphenyl)-2-nitro-benzamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-2-nitro-benzamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-2-nitro-benzamide CAS Name: N-[4-(cyclopentylthio)phenyl]-2-nitrobenzamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-2-nitrobenzamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-2-nitro-benzamide Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c21-18(16-7-3-4-8-17(16)20(22)23)19-13-9-11-15(12-10-13)24-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,19,21)