N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O3S/c1-3-25-9-11-26(12-10-25)19-16(22)5-4-6-17(19)23-21(31)24-20(28)15-8-7-14(2)18(13-15)27(29)30/h4-8,13H,3,9-12H2,1-2H3,(H2,23,24,28,31)