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

Systemtic Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(4-nitrophenyl)thiocarbamoylamino]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-11-8-12(2)17(13(3)9-11)21-16(23)10-19-18(26)20-14-4-6-15(7-5-14)22(24)25/h4-9H,10H2,1-3H3,(H,21,23)(H2,19,20,26)