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

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-22-9-11-23(12-10-22)16-7-5-15(6-8-16)20-19(28)21-18(25)14-3-2-4-17(13-14)24(26)27/h2-8,13H,9-12H2,1H3,(H2,20,21,25,28)