N-(4-butylphenyl)-3-nitro-benzenecarbothioamide

Systemtic Name: N-(4-butylphenyl)-3-nitro-benzenecarbothioamide Openeye Name: N-(4-butylphenyl)-3-nitro-benzenecarbothioamide CAS Name: N-(4-butylphenyl)-3-nitrobenzenecarbothioamide IUPAC Name: N-(4-butylphenyl)-3-nitrobenzenecarbothioamide Traditional Name: N-(4-butylphenyl)-3-nitro-thiobenzamide Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-2-3-5-13-8-10-15(11-9-13)18-17(22)14-6-4-7-16(12-14)19(20)21/h4,6-12H,2-3,5H2,1H3,(H,18,22)