N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-nitro-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-nitro-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-nitro-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-nitrobenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-2-nitro-benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S/c30-24(21-13-7-8-14-22(21)29(31)32)26-25(33)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,26,30,33)