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

Systemtic Name: 1-(4-methylphenyl)-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(p-tolyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(p-tolyl)thiourea Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O4S/c1-11-2-6-13(7-3-11)18-17(25)19-15(10-21)16(22)12-4-8-14(9-5-12)20(23)24/h2-9,15-16,21-22H,10H2,1H3,(H2,18,19,25)