3-chloranyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O4S2/c1-2-26-10-7-8-12(13(9-10)22(24)25)20-18(27)21-17(23)16-15(19)11-5-3-4-6-14(11)28-16/h3-9H,2H2,1H3,(H2,20,21,23,27)