3-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoate

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoate Openeye Name: 3-[(2-chloro-4-nitro-benzoyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoate Formula: C16H11ClN3O5S- MolecularWeight: 392.79364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O5S/c1-8-2-3-9(15(22)23)6-13(8)18-16(26)19-14(21)11-5-4-10(20(24)25)7-12(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)/p-1