N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-4-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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