1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(2-nitrophenyl)phenyl]thiourea Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O2S/c1-2-3-6-17-9-13-19(14-10-17)24-23(29)25-20-15-11-18(12-16-20)21-7-4-5-8-22(21)26(27)28/h4-5,7-16H,2-3,6H2,1H3,(H2,24,25,29)