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

Systemtic Name: 1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]thiourea Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-2-7-14-13(21)15-11(8-17)12(18)9-3-5-10(6-4-9)16(19)20/h2-6,11-12,17-18H,1,7-8H2,(H2,14,15,21)