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

Systemtic Name: N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-11(2)27-15-5-3-4-13(10-15)16(23)19-18(28)21-20-17(24)12-6-8-14(9-7-12)22(25)26/h3-11H,1-2H3,(H,20,24)(H2,19,21,23,28)