N-(2-methyl-5-nitro-phenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[4-(3-thenyl)piperazino]propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CSC=C3

InChI

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