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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(3-methoxypropyl)thiourea Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c1-24-8-2-7-19-17(26)20-13-9-14(21(22)23)11-16(10-13)25-15-5-3-12(18)4-6-15/h3-6,9-11H,2,7-8H2,1H3,(H2,19,20,26)