N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)carbamothioylamino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)carbamothioylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(4-nitrophenyl)thiocarbamoylamino]acetamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-11-4-3-5-12(2)16(11)20-15(22)10-18-17(25)19-13-6-8-14(9-7-13)21(23)24/h3-9H,10H2,1-2H3,(H,20,22)(H2,18,19,25)