1-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[(2-hydroxy-5-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2-hydroxy-5-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-(2-hydroxy-5-nitro-benzyl)-3-p-cumenyl-thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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