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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c21-11-15(16(22)13-6-8-14(9-7-13)20(23)24)19-17(25)18-10-12-4-2-1-3-5-12/h1-9,15-16,21-22H,10-11H2,(H2,18,19,25)