4-nitro-N-(phenylmethyl)benzenecarbothioamide

Systemtic Name: 4-nitro-N-(phenylmethyl)benzenecarbothioamide Openeye Name: N-benzyl-4-nitro-benzenecarbothioamide CAS Name: 4-nitro-N-(phenylmethyl)benzenecarbothioamide IUPAC Name: N-benzyl-4-nitrobenzenecarbothioamide Traditional Name: N-benzyl-4-nitro-thiobenzamide Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O2S/c17-16(18)13-8-6-12(7-9-13)14(19)15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,19)