1-(2-chloranyl-5-nitro-phenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2S/c1-12-5-6-14(13(2)10-12)4-3-9-20-18(25)21-17-11-15(22(23)24)7-8-16(17)19/h5-8,10-11H,3-4,9H2,1-2H3,(H2,20,21,25)