methyl N-[[2,5-bis(chloranyl)-4-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2,5-bis(chloranyl)-4-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[(2,5-dichloro-4-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(2,5-dichloro-4-nitroanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2,5-dichloro-4-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(2,5-dichloro-4-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C9H7Cl2N3O4S MolecularWeight: 324.14058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)NC(=S)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H7Cl2N3O4S/c1-18-9(15)13-8(19)12-6-2-5(11)7(14(16)17)3-4(6)10/h2-3H,1H3,(H2,12,13,15,19)