N-[(4-butylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(4-butylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-3-5-6-14-7-10-16(11-8-14)21-20(28)22-19(24)15-9-12-18(27-4-2)17(13-15)23(25)26/h7-13H,3-6H2,1-2H3,(H2,21,22,24,28)