3-nitro-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-18(15-5-4-6-17(13-15)24(27)28)22-20(29)21-16-9-7-14(8-10-16)19(26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H2,21,22,25,29)