3-nitro-N-[(2-nitrophenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(2-nitrophenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-nitrophenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[(2-nitroanilino)-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-nitrophenyl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-nitrophenyl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c24-17(20-18(29)19-13-5-1-2-6-14(13)22(25)26)12-7-8-15(16(11-12)23(27)28)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H2,19,20,24,29)