N-(pyridin-2-ylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine

Systemtic Name: N-(pyridin-2-ylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine Openeye Name: N-(2-pyridylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine CAS Name: N-(2-pyridinylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine IUPAC Name: N-(pyridin-2-ylmethyl)-1-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methanamine Traditional Name: 2-pyridylmethyl-[4-(1-thia-5,8,11-triazacyclotetradec-8-ylmethyl)benzyl]amine Formula: C24H37N5S MolecularWeight: 427.64908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCCSC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3

Isomeric SMILES

C1CNCCN(CCNCCCSC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3

InChI

InChI=1S/C24H37N5S/c1-2-12-28-24(5-1)20-27-19-22-6-8-23(9-7-22)21-29-15-13-25-10-3-17-30-18-4-11-26-14-16-29/h1-2,5-9,12,25-27H,3-4,10-11,13-21H2