1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(tetrahydrofurfuryl)thiourea Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c19-12-3-5-15(6-4-12)26-17-9-13(8-14(10-17)22(23)24)21-18(27)20-11-16-2-1-7-25-16/h3-6,8-10,16H,1-2,7,11H2,(H2,20,21,27)