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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(3-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=CSC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC3=CSC=C3

InChI

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