[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone

Systemtic Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone Openeye Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: [4-[1-(2-chlorophenyl)ethyl]piperazino]-(5-methyl-4-nitro-2-thienyl)methanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3S/c1-12(14-5-3-4-6-15(14)19)20-7-9-21(10-8-20)18(23)17-11-16(22(24)25)13(2)26-17/h3-6,11-12H,7-10H2,1-2H3