1-(2-chloranyl-5-nitro-phenyl)-3-(4-phenoxybutyl)thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c18-15-9-8-13(21(22)23)12-16(15)20-17(25)19-10-4-5-11-24-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11H2,(H2,19,20,25)