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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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