1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)propanoyl]amino]thiourea

Systemtic Name: 1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)propanoyl]amino]thiourea Openeye Name: 1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)propanoyl]amino]thiourea CAS Name: 1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)propanoyl]amino]thiourea Traditional Name: 1-ethyl-3-[[(2S)-2-(4-nitrophenoxy)propanoyl]amino]thiourea Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C(C)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC(=O)[C@H](C)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-3-13-12(21)15-14-11(17)8(2)20-10-6-4-9(5-7-10)16(18)19/h4-8H,3H2,1-2H3,(H,14,17)(H2,13,15,21)/t8-/m0/s1