(E)-but-2-enedioic acid; 1-(phenylmethyl)thiourea

Systemtic Name: (E)-but-2-enedioic acid; 1-(phenylmethyl)thiourea Openeye Name: benzylthiourea; fumaric acid CAS Name: (E)-2-butenedioic acid; (phenylmethyl)thiourea IUPAC Name: benzylthiourea; (E)-but-2-enedioic acid Traditional Name: benzylthiourea; fumaric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H10N2S.C4H4O4/c9-8(11)10-6-7-4-2-1-3-5-7;5-3(6)1-2-4(7)8/h1-5H,6H2,(H3,9,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+