3-nitro-N-[[(4-nitrophenyl)amino]carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[(4-nitrophenyl)amino]carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(4-nitroanilino)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(4-nitroanilino)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(4-nitroanilino)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C18H18N6O5S MolecularWeight: 430.43772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5S/c25-17(19-18(30)21-20-13-4-6-14(7-5-13)23(26)27)12-3-8-15(16(11-12)24(28)29)22-9-1-2-10-22/h3-8,11,20H,1-2,9-10H2,(H2,19,21,25,30)