N-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O4S/c19-16-5-4-15(28-16)12-21-6-8-22(9-7-21)17(24)11-20-18(25)13-2-1-3-14(10-13)23(26)27/h1-5,10H,6-9,11-12H2,(H,20,25)