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

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

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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=C3)F)Cl

Isomeric SMILES

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

InChI

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