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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(2-thenyl)piperazino]propionamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H21ClN4O3S/c1-13(18(24)20-17-5-4-14(23(25)26)11-16(17)19)22-8-6-21(7-9-22)12-15-3-2-10-27-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,24)