1-(3-bromophenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C15H14BrN3O3S MolecularWeight: 396.25896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=S)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H14BrN3O3S/c16-11-2-1-3-12(8-11)18-15(23)17-9-14(20)10-4-6-13(7-5-10)19(21)22/h1-8,14,20H,9H2,(H2,17,18,23)/t14-/m1/s1