N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H23ClN6O5S MolecularWeight: 518.97322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O5S/c23-17-14-16(28(31)32)4-6-18(17)26-9-11-27(12-10-26)22(35)24-21(30)15-3-5-19(20(13-15)29(33)34)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2,(H,24,30,35)