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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(2,4-dimethoxybenzyl)-1-methyl-thiourea Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)OC)OC)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=C(C=C(C=C1)OC)OC)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O4S/c1-20(10-11-4-6-13(24-2)9-16(11)25-3)17(26)19-15-8-12(21(22)23)5-7-14(15)18/h4-9H,10H2,1-3H3,(H,19,26)