N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H12ClN3O4S MolecularWeight: 365.79148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O4S/c1-23-13-6-5-10(8-12(13)16)17-15(24)18-14(20)9-3-2-4-11(7-9)19(21)22/h2-8H,1H3,(H2,17,18,20,24)