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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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