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

Systemtic Name: 3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-4-nitro-benzamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-14-11-15(3-4-17(14)23(25)26)19(24)20-12-18(16-5-10-27-13-16)22-8-6-21(2)7-9-22/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,20,24)