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

Systemtic Name: 1-butyl-3-[3-(4-chloranylphenoxy)-5-nitro-phenyl]thiourea Openeye Name: 1-butyl-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea CAS Name: 1-butyl-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea IUPAC Name: 1-butyl-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea Traditional Name: 1-butyl-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c1-2-3-8-19-17(25)20-13-9-14(21(22)23)11-16(10-13)24-15-6-4-12(18)5-7-15/h4-7,9-11H,2-3,8H2,1H3,(H2,19,20,25)