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

Systemtic Name: 1-methyl-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-methyl-thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-methylthiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-methylthiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-methyl-thiourea Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4S/c1-12-11(19)13-9(6-15)10(16)7-2-4-8(5-3-7)14(17)18/h2-5,9-10,15-16H,6H2,1H3,(H2,12,13,19)