N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C18H13ClN4O5S2 MolecularWeight: 464.90262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O5S2/c19-15-12-3-1-2-4-13(12)30-16(15)17(25)21-22-18(29)20-14(24)9-28-11-7-5-10(6-8-11)23(26)27/h1-8H,9H2,(H,21,25)(H2,20,22,24,29)