N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-11(2)12-6-8-13(9-7-12)16(23)19-18(27)21-20-17(24)14-4-3-5-15(10-14)22(25)26/h3-11H,1-2H3,(H,20,24)(H2,19,21,23,27)