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

Systemtic Name: N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[cyclopropylmethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[cyclopropylmethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[cyclopropylmethyl(tetrahydrofurfuryl)thiocarbamoyl]-2-nitro-benzamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2CC2)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN(CC2CC2)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c21-16(14-5-1-2-6-15(14)20(22)23)18-17(25)19(10-12-7-8-12)11-13-4-3-9-24-13/h1-2,5-6,12-13H,3-4,7-11H2,(H,18,21,25)