1-ethyl-3-[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]thiourea

Systemtic Name: 1-ethyl-3-[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]thiourea Openeye Name: 1-ethyl-3-[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]thiourea CAS Name: 1-ethyl-3-[[(2S)-2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[(2S)-2-(4-methyl-2-nitrophenoxy)propanoyl]amino]thiourea Traditional Name: 1-ethyl-3-[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]thiourea Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-4-14-13(22)16-15-12(18)9(3)21-11-6-5-8(2)7-10(11)17(19)20/h5-7,9H,4H2,1-3H3,(H,15,18)(H2,14,16,22)/t9-/m0/s1