1-(1,3-benzodioxol-5-yl)-3-[3-(4-chloranylphenoxy)-5-nitro-phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-chloranylphenoxy)-5-nitro-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea Formula: C20H14ClN3O5S MolecularWeight: 443.86026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O5S/c21-12-1-4-16(5-2-12)29-17-8-14(7-15(10-17)24(25)26)23-20(30)22-13-3-6-18-19(9-13)28-11-27-18/h1-10H,11H2,(H2,22,23,30)