5-nitro-2-[(phenylmethyl)amino]benzenecarbothioamide

Systemtic Name: 5-nitro-2-[(phenylmethyl)amino]benzenecarbothioamide Openeye Name: 2-(benzylamino)-5-nitro-benzenecarbothioamide CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzenecarbothioamide IUPAC Name: 2-(benzylamino)-5-nitrobenzenecarbothioamide Traditional Name: 2-(benzylamino)-5-nitro-thiobenzamide Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C14H13N3O2S/c15-14(20)12-8-11(17(18)19)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H2,15,20)