N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c21-10-9-19(12-13-5-2-1-3-6-13)17(25)18-16(22)14-7-4-8-15(11-14)20(23)24/h1-8,11,21H,9-10,12H2,(H,18,22,25)