N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O3S/c1-13-8-9-14(12-17(13)25(27)28)19(26)23-20(29)22-16-7-5-6-15(21)18(16)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3,(H2,22,23,26,29)