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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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