1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C

InChI

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