4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]-4-oxidanidyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]-4-oxidanidyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-4-oxido-piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-4-oxido-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-4-oxidopiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-4-oxido-piperazin-4-ium-1-carbothioamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H21N5O3S/c1-23(26)12-10-21(11-13-23)18(27)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)22(24)25/h2-9,19H,10-13H2,1H3,(H,20,27)