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

Systemtic Name: 3-chloranyl-N-[(4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-nitrophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H10ClN3O3S2 MolecularWeight: 391.8519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O3S2/c17-13-11-3-1-2-4-12(11)25-14(13)15(21)19-16(24)18-9-5-7-10(8-6-9)20(22)23/h1-8H,(H2,18,19,21,24)