N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylcarbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylcarbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[3-(2-chloro-4-nitro-anilino)propylcarbamothioyl]benzamide CAS Name: N-[[3-(2-chloro-4-nitroanilino)propylamino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propylcarbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[3-(2-chloro-4-nitro-anilino)propylthiocarbamoyl]benzamide Formula: C24H23ClN4O4S MolecularWeight: 498.98182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H23ClN4O4S/c25-21-15-19(29(31)32)9-12-22(21)26-13-4-14-27-24(34)28-23(30)18-7-10-20(11-8-18)33-16-17-5-2-1-3-6-17/h1-3,5-12,15,26H,4,13-14,16H2,(H2,27,28,30,34)