3,5-dinitro-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O5S/c26-19(15-10-17(24(27)28)12-18(11-15)25(29)30)22-20(31)21-16-6-8-23(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16H,6-9,13H2,(H2,21,22,26,31)