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

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4S/c1-2-3-4-5-12-28-16-9-6-14(7-10-16)19(25)23-20(29)22-17-11-8-15(21)13-18(17)24(26)27/h6-11,13H,2-5,12H2,1H3,(H2,22,23,25,29)