1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(4-phenoxyphenyl)thiourea Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H21N3O5S/c26-14-20(21(27)15-6-10-17(11-7-15)25(28)29)24-22(31)23-16-8-12-19(13-9-16)30-18-4-2-1-3-5-18/h1-13,20-21,26-27H,14H2,(H2,23,24,31)