(phenylmethyl) 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O2S/c27-22(28-19-20-10-5-4-6-11-20)18-25-14-9-15-26(17-16-25)23(29)24-21-12-7-2-1-3-8-13-21/h4-6,10-11,21H,1-3,7-9,12-19H2,(H,24,29)