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

Systemtic Name: 1-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenethylthiourea Traditional Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c21-16(14-6-8-15(9-7-14)20(22)23)12-19-17(24)18-11-10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,18,19,24)/t16-/m1/s1