tert-butyl 13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate

Systemtic Name: tert-butyl 13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate Openeye Name: tert-butyl 13-benzyl-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate CAS Name: 13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 13-benzyl-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate Traditional Name: 13-benzyl-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylic acid tert-butyl ester Formula: C24H40N2O2S2 MolecularWeight: 452.7166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSCCCN(CCCSCCC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCSCCCN(CCCSCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C24H40N2O2S2/c1-24(2,3)28-23(27)26-15-9-19-29-17-7-13-25(14-8-18-30-20-10-16-26)21-22-11-5-4-6-12-22/h4-6,11-12H,7-10,13-21H2,1-3H3