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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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