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

Systemtic Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-2-23-11-13-24(14-12-23)16-9-7-15(8-10-16)21-20(29)22-19(26)17-5-3-4-6-18(17)25(27)28/h3-10H,2,11-14H2,1H3,(H2,21,22,26,29)