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

Systemtic Name: 3-[(Z)-2-[(2-methylphenyl)carbamoyl]-3-oxidanylidene-but-1-enyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide Openeye Name: N-hydroxy-3-[(Z)-2-(o-tolylcarbamoyl)-3-oxo-but-1-enyl]-2-thioxo-1H-benzimidazol-5-amine oxide CAS Name: N-hydroxy-3-[(Z)-2-[(2-methylanilino)-oxomethyl]-3-oxobut-1-enyl]-2-sulfanylidene-1H-benzimidazol-5-amine oxide IUPAC Name: N-hydroxy-3-[(Z)-2-[(2-methylphenyl)carbamoyl]-3-oxobut-1-enyl]-2-sulfanylidene-1H-benzimidazol-5-amine oxide Traditional Name: N-hydroxy-3-[(Z)-3-keto-2-(o-tolylcarbamoyl)but-1-enyl]-2-thioxo-1H-benzimidazol-5-amine oxide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CN2C3=C(C=CC(=C3)[NH+](O)[O-])NC2=S)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C\N2C3=C(C=CC(=C3)[NH+](O)[O-])NC2=S)/C(=O)C

InChI

InChI=1S/C19H18N4O4S/c1-11-5-3-4-6-15(11)20-18(25)14(12(2)24)10-22-17-9-13(23(26)27)7-8-16(17)21-19(22)28/h3-10,23,26H,1-2H3,(H,20,25)(H,21,28)/b14-10-