N-(2-hydroxyethyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(2-hydroxyethyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-hydroxyethyl)-2-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c22-10-9-18-16(24)13-3-1-2-4-14(13)19-17(27)20-15(23)11-5-7-12(8-6-11)21(25)26/h1-8,22H,9-10H2,(H,18,24)(H2,19,20,23,27)