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

Systemtic Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3-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/c1-2-23-10-12-24(13-11-23)17-8-6-16(7-9-17)21-20(29)22-19(26)15-4-3-5-18(14-15)25(27)28/h3-9,14H,2,10-13H2,1H3,(H2,21,22,26,29)