(E)-but-2-enedioic acid; 3-methyl-4-phenyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazole-2-thione

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-4-phenyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazole-2-thione Openeye Name: fumaric acid; 5-[1-(isopropylamino)ethyl]-3-methyl-4-phenyl-thiazole-2-thione CAS Name: (E)-2-butenedioic acid; 3-methyl-4-phenyl-5-[1-(propan-2-ylamino)ethyl]-2-thiazolethione IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-4-phenyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazole-2-thione Traditional Name: fumaric acid; 5-[1-(isopropylamino)ethyl]-3-methyl-4-phenyl-4-thiazoline-2-thione Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)C1=C(N(C(=S)S1)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC(C)C1=C(N(C(=S)S1)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N2S2.C4H4O4/c1-10(2)16-11(3)14-13(17(4)15(18)19-14)12-8-6-5-7-9-12;5-3(6)1-2-4(7)8/h5-11,16H,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+