1-(4-butylphenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-2-3-4-14-5-9-16(10-6-14)21-19(26)20-13-18(23)15-7-11-17(12-8-15)22(24)25/h5-12,18,23H,2-4,13H2,1H3,(H2,20,21,26)/t18-/m1/s1