1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(S2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(S2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3S2/c1-13(26-15-4-2-14(3-5-15)22(24)25)18(23)21-10-8-20(9-11-21)12-16-6-7-17(19)27-16/h2-7,13H,8-12H2,1H3