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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H18ClN3O4S/c23-19-14-17(26(28)29)8-11-20(19)24-22(31)25-21(27)16-6-9-18(10-7-16)30-13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H2,24,25,27,31)