ethanedioic acid; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)thiourea

Systemtic Name: ethanedioic acid; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)thiourea Openeye Name: oxalic acid; 3-[2-(2-pyridyl)ethyl]-1,1-bis(2-pyrrolidin-1-ylethyl)thiourea CAS Name: oxalic acid; 3-[2-(2-pyridinyl)ethyl]-1,1-bis[2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: oxalic acid; 3-(2-pyridin-2-ylethyl)-1,1-bis(2-pyrrolidin-1-ylethyl)thiourea Traditional Name: oxalic acid; 3-[2-(2-pyridyl)ethyl]-1,1-bis(2-pyrrolidinoethyl)thiourea Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CCN2CCCC2)C(=S)NCCC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCN(CCN2CCCC2)C(=S)NCCC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33N5S.C2H2O4/c26-20(22-10-8-19-7-1-2-9-21-19)25(17-15-23-11-3-4-12-23)18-16-24-13-5-6-14-24;3-1(4)2(5)6/h1-2,7,9H,3-6,8,10-18H2,(H,22,26);(H,3,4)(H,5,6)