N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C23H19N5O6S MolecularWeight: 493.49186

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O6S/c1-26(14-15-6-3-2-4-7-15)22(30)16-8-5-9-18(10-16)24-23(35)25-21(29)17-11-19(27(31)32)13-20(12-17)28(33)34/h2-13H,14H2,1H3,(H2,24,25,29,35)