4-[(4-nitrophenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(4-nitrophenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(4-nitrophenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(4-nitroanilino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(4-nitrophenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[(4-nitrophenyl)thiocarbamoyl]-N-phenyl-piperazine-1-carboxamide Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c24-17(19-14-4-2-1-3-5-14)21-10-12-22(13-11-21)18(27)20-15-6-8-16(9-7-15)23(25)26/h1-9H,10-13H2,(H,19,24)(H,20,27)