3-(2-chloranyl-5-nitro-phenyl)-1-[(4-ethylphenyl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(4-ethylphenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(4-ethylphenyl)methyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(4-ethylphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(4-ethylphenyl)methyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(4-ethylbenzyl)-1-methyl-thiourea Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-3-12-4-6-13(7-5-12)11-20(2)17(24)19-16-10-14(21(22)23)8-9-15(16)18/h4-10H,3,11H2,1-2H3,(H,19,24)