2-ethyl-4-(phenylmethylsulfanyl)-N1-(2-piperidin-1-ylethyl)pentane-1,3,4-triamine

Systemtic Name: 2-ethyl-4-(phenylmethylsulfanyl)-N1-(2-piperidin-1-ylethyl)pentane-1,3,4-triamine Openeye Name: 4-benzylsulfanyl-2-ethyl-N1-[2-(1-piperidyl)ethyl]pentane-1,3,4-triamine CAS Name: 2-ethyl-4-(phenylmethylthio)-N1-[2-(1-piperidinyl)ethyl]pentane-1,3,4-triamine IUPAC Name: 4-benzylsulfanyl-2-ethyl-1-N-(2-piperidin-1-ylethyl)pentane-1,3,4-triamine Traditional Name: [3,4-diamino-4-(benzylthio)-2-ethyl-pentyl]-(2-piperidinoethyl)amine Formula: C21H38N4S MolecularWeight: 378.61822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCN1CCCCC1)C(C(C)(N)SCC2=CC=CC=C2)N

Isomeric SMILES

CCC(CNCCN1CCCCC1)C(C(C)(N)SCC2=CC=CC=C2)N

InChI

InChI=1S/C21H38N4S/c1-3-19(16-24-12-15-25-13-8-5-9-14-25)20(22)21(2,23)26-17-18-10-6-4-7-11-18/h4,6-7,10-11,19-20,24H,3,5,8-9,12-17,22-23H2,1-2H3