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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4S/c1-2-30-18-10-9-14(13-17(18)26(28)29)20(27)24-21(31)23-16-8-6-7-15(22)19(16)25-11-4-3-5-12-25/h6-10,13H,2-5,11-12H2,1H3,(H2,23,24,27,31)