1-(2,6-dimethylphenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-11-4-3-5-12(2)16(11)19-17(24)18-10-15(21)13-6-8-14(9-7-13)20(22)23/h3-9,15,21H,10H2,1-2H3,(H2,18,19,24)