methyl 3-chloranyl-6-[[(4-fluorophenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(4-fluorophenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(4-fluorobenzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(4-fluorobenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(4-fluorobenzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H13ClFN3O3S2 MolecularWeight: 437.895523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFN3O3S2/c1-26-17(25)15-14(19)12-7-6-11(8-13(12)28-15)21-18(27)23-22-16(24)9-2-4-10(20)5-3-9/h2-8H,1H3,(H,22,24)(H2,21,23,27)