1-(4-butylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O3S/c1-2-3-4-13-5-7-15(8-6-13)20-18(25)19-12-14-11-16(21(23)24)9-10-17(14)22/h5-11,22H,2-4,12H2,1H3,(H2,19,20,25)