N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-[4-(isopropylthio)phenyl]acetamide Formula: C23H32N2OS2 MolecularWeight: 416.64298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2OS2/c1-18(2)28-21-9-7-19(8-10-21)15-23(26)24-16-22(20-11-14-27-17-20)25-12-5-3-4-6-13-25/h7-11,14,17-18,22H,3-6,12-13,15-16H2,1-2H3,(H,24,26)