2-chloranyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H15ClN4O3S2 MolecularWeight: 434.9197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O3S2/c19-14-8-10(23(25)26)6-7-12(14)16(24)21-18(27)22-17-13(9-20)11-4-2-1-3-5-15(11)28-17/h6-8H,1-5H2,(H2,21,22,24,27)