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

Systemtic Name: 1-(2-ethoxyphenyl)-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-(2-ethoxyphenyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(2-ethoxyphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(2-ethoxyphenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-o-phenetyl-thiourea Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O5S/c1-2-26-16-6-4-3-5-14(16)19-18(27)20-15(11-22)17(23)12-7-9-13(10-8-12)21(24)25/h3-10,15,17,22-23H,2,11H2,1H3,(H2,19,20,27)