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

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(4,5-dimethoxy-2-methyl-benzyl)-1-methyl-thiourea Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC)OC

InChI

InChI=1S/C18H20ClN3O4S/c1-11-7-16(25-3)17(26-4)8-12(11)10-21(2)18(27)20-15-9-13(22(23)24)5-6-14(15)19/h5-9H,10H2,1-4H3,(H,20,27)