2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1,4-diazepan-1-yl]-N-(2,6-diisopropylphenyl)acetamide CAS Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1,4-diazepan-1-yl]-N-(2,6-diisopropylphenyl)acetamide Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCCN(CC2)CCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCCN(CC2)CCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C29H40N4O2S/c1-21(2)23-10-7-11-24(22(3)4)28(23)31-27(34)20-33-15-8-14-32(17-18-33)16-9-19-36-29-30-25-12-5-6-13-26(25)35-29/h5-7,10-13,21-22H,8-9,14-20H2,1-4H3,(H,31,34)