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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-27-10-9-19-17(24)14-7-2-3-8-15(14)20-18(28)21-16(23)12-5-4-6-13(11-12)22(25)26/h2-8,11H,9-10H2,1H3,(H,19,24)(H2,20,21,23,28)