N-tert-butyl-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-naphthylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2-naphthalenylthio)-1-oxoethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-naphthalen-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-naphthylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C23H31N3O2S MolecularWeight: 413.57614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H31N3O2S/c1-23(2,3)24-21(27)16-25-11-6-12-26(14-13-25)22(28)17-29-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,27)