1-(4-aminophenyl)-3-prop-2-enyl-thiourea; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(4-aminophenyl)-3-prop-2-enyl-thiourea; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 1-allyl-3-(4-aminophenyl)thiourea; citric acid CAS Name: 1-(4-aminophenyl)-3-prop-2-enylthiourea; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-(4-aminophenyl)-3-prop-2-enylthiourea; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-allyl-3-(4-aminophenyl)thiourea; citric acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C10H13N3S.C6H8O7/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-6H,1,7,11H2,(H2,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)