4-chloranyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-3-nitro-benzamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C18H21ClN4O3S/c1-21-5-7-22(8-6-21)17(14-4-9-27-12-14)11-20-18(24)13-2-3-15(19)16(10-13)23(25)26/h2-4,9-10,12,17H,5-8,11H2,1H3,(H,20,24)