2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(phenylsulfinyl)ethyl]thiourea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(phenylsulfinyl)ethyl]thiourea Openeye Name: 2-(benzenesulfinyl)ethylthiourea citrate CAS Name: 2-(benzenesulfinyl)ethylthiourea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(benzenesulfinyl)ethylthiourea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(benzenesulfinyl)ethylthiourea citrate Formula: C15H17N2O8S2-3 MolecularWeight: 417.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CCNC(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CCNC(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C9H12N2OS2.C6H8O7/c10-9(13)11-6-7-14(12)8-4-2-1-3-5-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5H,6-7H2,(H3,10,11,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3