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2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol

2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol

Systemtic Name:2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol
Openeye Name:2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol
CAS Name:2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol
IUPAC Name:2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methylamino]ethanethiol
Traditional Name:2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]amino]ethanethiol
Formula: C20H37N5S
MolecularWeight: 379.60628
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCCS


Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCCS


InChI

InChI=1S/C20H37N5S/c26-16-13-24-17-19-3-5-20(6-4-19)18-25-14-2-9-22-11-10-21-7-1-8-23-12-15-25/h3-6,21-24,26H,1-2,7-18H2


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