1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(4-nitrobenzoyl)amino]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(4-nitrobenzoyl)amino]thiourea Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C16H15ClN4O5S/c1-25-13-8-12(14(26-2)7-11(13)17)18-16(27)20-19-15(22)9-3-5-10(6-4-9)21(23)24/h3-8H,1-2H3,(H,19,22)(H2,18,20,27)