1-(2-chloranyl-5-nitro-phenyl)-3-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]thiourea Openeye Name: 1-[(5-chloro-2-hydroxy-benzoyl)amino]-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-[(5-chloro-2-hydroxy-benzoyl)amino]-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C14H10Cl2N4O4S MolecularWeight: 401.2246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N4O4S/c15-7-1-4-12(21)9(5-7)13(22)18-19-14(25)17-11-6-8(20(23)24)2-3-10(11)16/h1-6,21H,(H,18,22)(H2,17,19,25)