3-[(E)-2-[(4-chlorophenyl)carbamoyl]-3-oxidanylidene-but-1-enyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide

Systemtic Name: 3-[(E)-2-[(4-chlorophenyl)carbamoyl]-3-oxidanylidene-but-1-enyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide Openeye Name: 3-[(E)-2-[(4-chlorophenyl)carbamoyl]-3-oxo-but-1-enyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide CAS Name: 3-[(E)-2-[(4-chloroanilino)-oxomethyl]-3-oxobut-1-enyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide IUPAC Name: 3-[(E)-2-[(4-chlorophenyl)carbamoyl]-3-oxobut-1-enyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide Traditional Name: 3-[(E)-2-[(4-chlorophenyl)carbamoyl]-3-keto-but-1-enyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1C2=C(C=CC(=C2)[NH+](O)[O-])NC1=S)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)/C(=C\N1C2=C(C=CC(=C2)[NH+](O)[O-])NC1=S)/C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-10(24)14(17(25)20-12-4-2-11(19)3-5-12)9-22-16-8-13(23(26)27)6-7-15(16)21-18(22)28/h2-9,23,26H,1H3,(H,20,25)(H,21,28)/b14-9+