N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S/c1-2-3-4-11-27-15-8-5-13(6-9-15)18(24)22-19(28)21-16-10-7-14(20)12-17(16)23(25)26/h5-10,12H,2-4,11H2,1H3,(H2,21,22,24,28)