(Z)-but-2-enedioic acid; 1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]sulfanyl-urea

Systemtic Name: (Z)-but-2-enedioic acid; 1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]sulfanyl-urea Openeye Name: 1-ethyl-3-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)sulfanyl-urea; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-ethyl-3-[[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]thio]urea IUPAC Name: (Z)-but-2-enedioic acid; 1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]sulfanylurea Traditional Name: 1-ethyl-3-[(3-isobutoxy-2-pyrrolidino-propyl)thio]urea; maleic acid Formula: C18H33N3O6S MolecularWeight: 419.53612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NSCC(COCC(C)C)N1CCCC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC(=O)NSCC(COCC(C)C)N1CCCC1.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C14H29N3O2S.C4H4O4/c1-4-15-14(18)16-20-11-13(10-19-9-12(2)3)17-7-5-6-8-17;5-3(6)1-2-4(7)8/h12-13H,4-11H2,1-3H3,(H2,15,16,18);1-2H,(H,5,6)(H,7,8)/b;2-1-