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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea Traditional Name: 1-benzyl-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea Formula: C20H16ClN3O3S MolecularWeight: 413.87734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S/c21-15-6-8-18(9-7-15)27-19-11-16(10-17(12-19)24(25)26)23-20(28)22-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,22,23,28)