3-chloranyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H13ClN4O5S2 MolecularWeight: 464.90262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN4O5S2/c19-15-12-3-1-2-4-13(12)30-16(15)17(25)20-18(29)22-21-14(24)9-28-11-7-5-10(6-8-11)23(26)27/h1-8H,9H2,(H,21,24)(H2,20,22,25,29)