3-nitro-N-[oxolan-2-ylmethyl(propyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[oxolan-2-ylmethyl(propyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[propyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[2-oxolanylmethyl(propyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[oxolan-2-ylmethyl(propyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[propyl(tetrahydrofurfuryl)thiocarbamoyl]benzamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CCCO1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1CCCO1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-2-8-18(11-14-7-4-9-23-14)16(24)17-15(20)12-5-3-6-13(10-12)19(21)22/h3,5-6,10,14H,2,4,7-9,11H2,1H3,(H,17,20,24)