1-(5-nitro-2-oxidanyl-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(5-nitro-2-oxidanyl-phenyl)-3-phenethyl-thiourea Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)-3-phenethyl-thiourea CAS Name: 1-(2-hydroxy-5-nitrophenyl)-3-phenethylthiourea IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)-3-phenethylthiourea Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)-3-phenethyl-thiourea Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H15N3O3S/c19-14-7-6-12(18(20)21)10-13(14)17-15(22)16-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,16,17,22)