N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylcarbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylcarbamothioyl]thiophene-2-carboxamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propylcarbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-(2-chloro-4-nitroanilino)propylamino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propylcarbamothioyl]thiophene-2-carboxamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propylthiocarbamoyl]thiophene-2-carboxamide Formula: C15H15ClN4O3S2 MolecularWeight: 398.8876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC(=S)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC(=S)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN4O3S2/c16-11-9-10(20(22)23)4-5-12(11)17-6-2-7-18-15(24)19-14(21)13-3-1-8-25-13/h1,3-5,8-9,17H,2,6-7H2,(H2,18,19,21,24)