N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H19N5O7S MolecularWeight: 509.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O7S/c1-2-35-18-9-7-15(8-10-18)24-22(30)19-5-3-4-6-20(19)25-23(36)26-21(29)14-11-16(27(31)32)13-17(12-14)28(33)34/h3-13H,2H2,1H3,(H,24,30)(H2,25,26,29,36)