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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]thiourea Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-11-3-6-16(12(2)9-11)24-8-7-19-17(25)20-15-10-13(21(22)23)4-5-14(15)18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,25)