1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-(5-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C18H20ClN3O4S MolecularWeight: 409.8871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-13-2-4-15(22(24)25)16(10-13)26-12-18(23)21-8-6-20(7-9-21)11-14-3-5-17(19)27-14/h2-5,10H,6-9,11-12H2,1H3