1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C16H16ClN3O3S MolecularWeight: 365.83454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H16ClN3O3S/c1-9-5-10(2)15(13(17)6-9)19-16(24)18-8-11-7-12(20(22)23)3-4-14(11)21/h3-7,21H,8H2,1-2H3,(H2,18,19,24)