2-[4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H21ClN5O3S+ MolecularWeight: 398.88764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN5O3S/c17-13-4-3-12(22(24)25)9-14(13)19-16(26)21-7-5-20(6-8-21)10-15(23)18-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,23)(H,19,26)/p+1