ethanedioic acid; 1-octyl-3-(2-piperidin-1-ylethyl)thiourea

Systemtic Name: ethanedioic acid; 1-octyl-3-(2-piperidin-1-ylethyl)thiourea Openeye Name: 1-octyl-3-[2-(1-piperidyl)ethyl]thiourea; oxalic acid CAS Name: 1-octyl-3-[2-(1-piperidinyl)ethyl]thiourea; oxalic acid IUPAC Name: 1-octyl-3-(2-piperidin-1-ylethyl)thiourea; oxalic acid Traditional Name: 1-octyl-3-(2-piperidinoethyl)thiourea; oxalic acid Formula: C18H35N3O4S MolecularWeight: 389.5532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NCCN1CCCCC1.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCNC(=S)NCCN1CCCCC1.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H33N3S.C2H2O4/c1-2-3-4-5-6-8-11-17-16(20)18-12-15-19-13-9-7-10-14-19;3-1(4)2(5)6/h2-15H2,1H3,(H2,17,18,20);(H,3,4)(H,5,6)