1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea citrate CAS Name: 1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-(2-diethylaminoethyl)-1-(2-phenoxyethyl)thiourea citrate Formula: C21H30N3O8S-3 MolecularWeight: 484.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCOC1=CC=CC=C1)C(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCN(CCOC1=CC=CC=C1)C(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H25N3OS.C6H8O7/c1-3-17(4-2)10-11-18(15(16)20)12-13-19-14-8-6-5-7-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-13H2,1-2H3,(H2,16,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3