1-(2-chloranyl-5-nitro-phenyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

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