4-ethoxy-3-nitro-N-[(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(benzylthiocarbamoyl)-4-ethoxy-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-2-24-15-9-8-13(10-14(15)20(22)23)16(21)19-17(25)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,18,19,21,25)