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2-oxidanylpropane-1,2,3-tricarboxylate; 1-(1-phenylsulfanylethyl)thiourea

2-oxidanylpropane-1,2,3-tricarboxylate; 1-(1-phenylsulfanylethyl)thiourea

Systemtic Name:2-oxidanylpropane-1,2,3-tricarboxylate; 1-(1-phenylsulfanylethyl)thiourea
Openeye Name:1-phenylsulfanylethylthiourea citrate
CAS Name:2-hydroxypropane-1,2,3-tricarboxylate; 1-(phenylthio)ethylthiourea
IUPAC Name:2-hydroxypropane-1,2,3-tricarboxylate; 1-phenylsulfanylethylthiourea
Traditional Name:1-(phenylthio)ethylthiourea citrate
Formula: C15H17N2O7S2-3
MolecularWeight: 401.43468
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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=S)N)SC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O


Isomeric SMILES

CC(NC(=S)N)SC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O


InChI

InChI=1S/C9H12N2S2.C6H8O7/c1-7(11-9(10)12)13-8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7H,1H3,(H3,10,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3


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