3-(2-chloranyl-5-nitro-phenyl)-1-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-methyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

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