1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(4-methylbenzyl)thiourea Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O3S/c1-14-2-4-15(5-3-14)13-23-21(29)24-17-10-18(25(26)27)12-20(11-17)28-19-8-6-16(22)7-9-19/h2-12H,13H2,1H3,(H2,23,24,29)