N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-23-9-11-24(12-10-23)19(27)16-7-2-3-8-17(16)21-20(30)22-18(26)14-5-4-6-15(13-14)25(28)29/h2-8,13H,9-12H2,1H3,(H2,21,22,26,30)