1,1-bis(2-pyrrolidin-1-ylethyl)thiourea; 2-oxidanylidene-2-(2-pyridin-2-ylethoxy)ethanoic acid

Systemtic Name: 1,1-bis(2-pyrrolidin-1-ylethyl)thiourea; 2-oxidanylidene-2-(2-pyridin-2-ylethoxy)ethanoic acid Openeye Name: 1,1-bis(2-pyrrolidin-1-ylethyl)thiourea; 2-oxo-2-[2-(2-pyridyl)ethoxy]acetic acid CAS Name: 1,1-bis[2-(1-pyrrolidinyl)ethyl]thiourea; 2-oxo-2-[2-(2-pyridinyl)ethoxy]acetic acid IUPAC Name: 1,1-bis(2-pyrrolidin-1-ylethyl)thiourea; 2-oxo-2-(2-pyridin-2-ylethoxy)acetic acid Traditional Name: 1,1-bis(2-pyrrolidinoethyl)thiourea; 2-keto-2-[2-(2-pyridyl)ethoxy]acetic acid Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CCN2CCCC2)C(=S)N.C1=CC=NC(=C1)CCOC(=O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCN(CCN2CCCC2)C(=S)N.C1=CC=NC(=C1)CCOC(=O)C(=O)O

InChI

InChI=1S/C13H26N4S.C9H9NO4/c14-13(18)17(11-9-15-5-1-2-6-15)12-10-16-7-3-4-8-16;11-8(12)9(13)14-6-4-7-3-1-2-5-10-7/h1-12H2,(H2,14,18);1-3,5H,4,6H2,(H,11,12)