3-nitro-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-nitro-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-nitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-nitro-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-nitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c23-17(14-5-4-8-16(13-14)22(24)25)19-18(26)21-11-9-20(10-12-21)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,19,23,26)