N-[(4-butylphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(4-butylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-2-3-4-13-5-9-15(10-6-13)19-18(25)20-17(22)14-7-11-16(12-8-14)21(23)24/h5-12H,2-4H2,1H3,(H2,19,20,22,25)