3-chloranyl-6-methoxy-N-[(3-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(3-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(3-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(3-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H12ClN3O4S2 MolecularWeight: 421.87788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4S2/c1-25-11-5-6-12-13(8-11)27-15(14(12)18)16(22)20-17(26)19-9-3-2-4-10(7-9)21(23)24/h2-8H,1H3,(H2,19,20,22,26)