2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-mesityl-acetamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S/c1-10-6-11(2)17(12(3)7-10)22-16(24)9-20-18(27)21-15-8-13(23(25)26)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,22,24)(H2,20,21,27)