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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O3S/c1-2-12-3-7-14(8-4-12)19-17(24)18-11-16(21)13-5-9-15(10-6-13)20(22)23/h3-10,16,21H,2,11H2,1H3,(H2,18,19,24)/t16-/m1/s1