4-methyl-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[[2-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 4-methyl-3-nitro-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[(2-piperidinophenyl)thiocarbamoyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14-9-10-15(13-18(14)24(26)27)19(25)22-20(28)21-16-7-3-4-8-17(16)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22,25,28)