4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]piperazine-1-carbothioamide Openeye Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide CAS Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide Traditional Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O2S/c1-21-10-12-22(13-11-21)18(26)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)23(24)25/h2-9,19H,10-13H2,1H3,(H,20,26)