2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-N-(2-thenyl)propionamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-14(18(23)19-13-17-3-2-12-26-17)20-8-10-21(11-9-20)15-4-6-16(7-5-15)22(24)25/h2-7,12,14H,8-11,13H2,1H3,(H,19,23)