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

Systemtic Name: 2-[(2-nitrophenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-hydroxypropyl)-2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-hydroxypropyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-hydroxypropyl)-2-[(2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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