N-(4-chloranyl-3-nitro-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O3S/c1-29-17-5-2-15(3-6-17)13-23-8-10-24(11-9-23)14-20(26)22-16-4-7-18(21)19(12-16)25(27)28/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)