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

Systemtic Name: 1-(2,6-diethylphenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N3O3S/c1-3-13-6-5-7-14(4-2)18(13)21-19(26)20-12-17(23)15-8-10-16(11-9-15)22(24)25/h5-11,17,23H,3-4,12H2,1-2H3,(H2,20,21,26)