5-chloranyl-2-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 5-chloranyl-2-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-5-chloro-2-nitro-benzamide CAS Name: 5-chloro-2-nitro-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-5-chloro-2-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-5-chloro-2-nitro-benzamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H27ClN4O3S/c1-18(27-25(31)21-16-20(26)9-10-22(21)30(32)33)24(23-8-5-15-34-23)29-13-11-28(12-14-29)17-19-6-3-2-4-7-19/h2-10,15-16,18,24H,11-14,17H2,1H3,(H,27,31)