2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-hydroxypropyl)-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-hydroxypropyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-hydroxypropyl)-2-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c23-11-3-10-19-17(25)14-4-1-2-5-15(14)20-18(28)21-16(24)12-6-8-13(9-7-12)22(26)27/h1-2,4-9,23H,3,10-11H2,(H,19,25)(H2,20,21,24,28)