3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[(3-nitrobenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-2-9-19-16(23)12-5-3-7-14(10-12)20-18(27)21-17(24)13-6-4-8-15(11-13)22(25)26/h3-8,10-11H,2,9H2,1H3,(H,19,23)(H2,20,21,24,27)