N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-[4-(isopropylthio)phenyl]acetamide Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C24H35N3OS/c1-19(2)29-21-12-10-20(11-13-21)17-24(28)25-18-23(22-9-8-14-26(22)3)27-15-6-4-5-7-16-27/h8-14,19,23H,4-7,15-18H2,1-3H3,(H,25,28)