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

Systemtic Name: N-(dimethylaminomethylidene)-5-nitro-2-[(phenylmethyl)amino]benzenecarbothioamide Openeye Name: 2-(benzylamino)-N-(dimethylaminomethylene)-5-nitro-benzenecarbothioamide CAS Name: N-(dimethylaminomethylidene)-5-nitro-2-[(phenylmethyl)amino]benzenecarbothioamide IUPAC Name: 2-(benzylamino)-N-(dimethylaminomethylidene)-5-nitrobenzenecarbothioamide Traditional Name: 2-(benzylamino)-N-(dimethylaminomethylene)-5-nitro-thiobenzamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC(=S)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CN(C)C=NC(=S)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C17H18N4O2S/c1-20(2)12-19-17(24)15-10-14(21(22)23)8-9-16(15)18-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3