N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-4-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-14-5-10-18(15(2)13-14)22(11-3-4-12-24)20(28)21-19(25)16-6-8-17(9-7-16)23(26)27/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,21,25,28)