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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-phenethyl-thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-phenethyl-thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-phenethylthiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-phenethylthiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-phenethyl-thiourea Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c22-16-6-8-19(9-7-16)28-20-13-17(12-18(14-20)25(26)27)24-21(29)23-11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H2,23,24,29)