1-(2-chloranyl-5-nitro-phenyl)-3-[2-(3,4-dimethylphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(3,4-dimethylphenoxy)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4S/c1-10-3-5-13(7-11(10)2)26-9-16(23)20-21-17(27)19-15-8-12(22(24)25)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,20,23)(H2,19,21,27)