N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-nitro-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-nitrobenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-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(21-12-7-13-22(18-21)29(31)32)26-25(33)28-16-14-27(15-17-28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,30,33)