N-[[2-(1-nitropiperidin-3-yl)phenyl]methylcarbamothioyl]benzamide

Systemtic Name: N-[[2-(1-nitropiperidin-3-yl)phenyl]methylcarbamothioyl]benzamide Openeye Name: N-[[2-(1-nitro-3-piperidyl)phenyl]methylcarbamothioyl]benzamide CAS Name: N-[[[2-(1-nitro-3-piperidinyl)phenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(1-nitropiperidin-3-yl)phenyl]methylcarbamothioyl]benzamide Traditional Name: N-[[2-(1-nitro-3-piperidyl)benzyl]thiocarbamoyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)[N+](=O)[O-])C2=CC=CC=C2CNC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)[N+](=O)[O-])C2=CC=CC=C2CNC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c25-19(15-7-2-1-3-8-15)22-20(28)21-13-16-9-4-5-11-18(16)17-10-6-12-23(14-17)24(26)27/h1-5,7-9,11,17H,6,10,12-14H2,(H2,21,22,25,28)