1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-p-cumenyl-thiourea Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-12(2)13-3-7-15(8-4-13)20-19(27)21-17(11-23)18(24)14-5-9-16(10-6-14)22(25)26/h3-10,12,17-18,23-24H,11H2,1-2H3,(H2,20,21,27)