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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C22H26ClN5O4S MolecularWeight: 491.99094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O4S/c1-3-26-9-11-27(12-10-26)18-7-6-16(14-17(18)23)24-22(33)25-21(29)15-5-8-20(32-4-2)19(13-15)28(30)31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,24,25,29,33)