1-(4-butan-2-ylphenyl)-3-[3-(4-chloranylphenoxy)-5-nitro-phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloranylphenoxy)-5-nitro-phenyl]thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O3S/c1-3-15(2)16-4-8-18(9-5-16)25-23(31)26-19-12-20(27(28)29)14-22(13-19)30-21-10-6-17(24)7-11-21/h4-15H,3H2,1-2H3,(H2,25,26,31)