1-(2-chloranyl-5-nitro-phenyl)-3-[2-(3-methylphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(3-methylphenoxy)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-10-3-2-4-12(7-10)25-9-15(22)19-20-16(26)18-14-8-11(21(23)24)5-6-13(14)17/h2-8H,9H2,1H3,(H,19,22)(H2,18,20,26)