1-ethyl-3-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]thiourea

Systemtic Name: 1-ethyl-3-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]thiourea Openeye Name: 1-ethyl-3-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiourea CAS Name: 1-ethyl-3-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-ethyl-3-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiourea Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCNC(=S)NNC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

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