N-tert-butyl-3-chloranyl-7-[(2-fluorophenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(2-fluorophenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-fluorobenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-fluorobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-fluorobenzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C21H19ClFN3O2S2 MolecularWeight: 463.975863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H19ClFN3O2S2/c1-21(2,3)26-19(28)17-15(22)12-8-6-10-14(16(12)30-17)24-20(29)25-18(27)11-7-4-5-9-13(11)23/h4-10H,1-3H3,(H,26,28)(H2,24,25,27,29)