N-[(4-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-ethoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-ethoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-(p-phenetylthiocarbamoyl)benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-2-23-14-8-6-12(7-9-14)17-16(24)18-15(20)11-4-3-5-13(10-11)19(21)22/h3-10H,2H2,1H3,(H2,17,18,20,24)