1-(2-chloranyl-5-nitro-phenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(2,4,5-trimethoxybenzyl)thiourea Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC)OC

InChI

InChI=1S/C17H18ClN3O5S/c1-24-14-8-16(26-3)15(25-2)6-10(14)9-19-17(27)20-13-7-11(21(22)23)4-5-12(13)18/h4-8H,9H2,1-3H3,(H2,19,20,27)