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

Systemtic Name: N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[cyclopropylmethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[cyclopropylmethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[cyclopropylmethyl(tetrahydrofurfuryl)thiocarbamoyl]-3-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(13-3-1-4-14(9-13)20(22)23)18-17(25)19(10-12-6-7-12)11-15-5-2-8-24-15/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,21,25)