tert-butyl 11-(phenylmethyl)-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylate

Systemtic Name: tert-butyl 11-(phenylmethyl)-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylate Openeye Name: tert-butyl 11-benzyl-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylate CAS Name: 11-(phenylmethyl)-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 11-benzyl-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylate Traditional Name: 11-benzyl-1,7-dithia-4,11-diazacyclotetradecane-4-carboxylic acid tert-butyl ester Formula: C22H36N2O2S2 MolecularWeight: 424.66344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSCCCN(CCCSCC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSCCCN(CCCSCC1)CC2=CC=CC=C2

InChI

InChI=1S/C22H36N2O2S2/c1-22(2,3)26-21(25)24-13-17-27-15-7-11-23(12-8-16-28-18-14-24)19-20-9-5-4-6-10-20/h4-6,9-10H,7-8,11-19H2,1-3H3