N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3,5-dinitro-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3,5-dinitro-benzamide Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O5S/c31-24(20-15-21(29(32)33)17-22(16-20)30(34)35)26-25(36)28-13-11-27(12-14-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,23H,11-14H2,(H,26,31,36)