N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(2,5-dimethylphenyl)-(2-methylolbenzyl)thiocarbamoyl]-4-nitro-benzamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4S/c1-16-7-8-17(2)22(13-16)26(14-19-5-3-4-6-20(19)15-28)24(32)25-23(29)18-9-11-21(12-10-18)27(30)31/h3-13,28H,14-15H2,1-2H3,(H,25,29,32)