N-tert-butyl-3-chloranyl-7-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C23H23ClN4O5S2 MolecularWeight: 535.03552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H23ClN4O5S2/c1-5-33-16-10-9-12(11-15(16)28(31)32)20(29)26-22(34)25-14-8-6-7-13-17(24)19(35-18(13)14)21(30)27-23(2,3)4/h6-11H,5H2,1-4H3,(H,27,30)(H2,25,26,29,34)