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

Systemtic Name: N-butyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-2-3-11-20-18(25)15-9-4-5-10-16(15)21-19(28)22-17(24)13-7-6-8-14(12-13)23(26)27/h4-10,12H,2-3,11H2,1H3,(H,20,25)(H2,21,22,24,28)