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

Systemtic Name: N-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[cyclobutylmethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[cyclobutylmethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[cyclobutylmethyl(tetrahydrofurfuryl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN(CC2CCCO2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)CN(CC2CCCO2)C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c22-17(14-6-2-7-15(10-14)21(23)24)19-18(26)20(11-13-4-1-5-13)12-16-8-3-9-25-16/h2,6-7,10,13,16H,1,3-5,8-9,11-12H2,(H,19,22,26)