N-(2-methyl-3-nitro-phenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-thenyl)piperazino]propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H24N4O3S/c1-15-17(5-2-6-18(15)23(25)26)20-19(24)7-8-21-9-11-22(12-10-21)14-16-4-3-13-27-16/h2-6,13H,7-12,14H2,1H3,(H,20,24)