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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C16H16FN3O3S MolecularWeight: 349.379943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)F

InChI

InChI=1S/C16H16FN3O3S/c17-13-5-1-11(2-6-13)9-18-16(24)19-10-15(21)12-3-7-14(8-4-12)20(22)23/h1-8,15,21H,9-10H2,(H2,18,19,24)/t15-/m1/s1