1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)methanamine

Systemtic Name: 1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)methanamine Openeye Name: 1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-N-(2-thienylmethyl)methanamine CAS Name: 1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)methanamine IUPAC Name: 1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)methanamine Traditional Name: [4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]-(2-thenyl)amine Formula: C23H37N5S MolecularWeight: 415.63838

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CS3

Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CS3

InChI

InChI=1S/C23H37N5S/c1-4-23(29-17-1)19-27-18-21-5-7-22(8-6-21)20-28-15-3-11-25-13-12-24-9-2-10-26-14-16-28/h1,4-8,17,24-27H,2-3,9-16,18-20H2