N-(3-methylsulfanylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-26-17-4-2-3-14(13-17)19-18(23)21-11-9-20(10-12-21)15-5-7-16(8-6-15)22(24)25/h2-8,13H,9-12H2,1H3,(H,19,23)