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

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

Click to see the large picture

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