3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[(3-nitrobenzoyl)thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-3-11-24(12-4-2)20(27)16-8-5-9-17(13-16)22-21(30)23-19(26)15-7-6-10-18(14-15)25(28)29/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,22,23,26,30)