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

Systemtic Name: 1-(4-ethylphenyl)-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-ethylphenyl)thiourea Traditional Name: 1-(4-ethylphenyl)-3-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]thiourea Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O4S/c1-2-12-3-7-14(8-4-12)19-18(26)20-16(11-22)17(23)13-5-9-15(10-6-13)21(24)25/h3-10,16-17,22-23H,2,11H2,1H3,(H2,19,20,26)