N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-25(17-10-3-2-4-11-17)21(28)15-8-7-9-16(14-15)23-22(31)24-20(27)18-12-5-6-13-19(18)26(29)30/h2-14H,1H3,(H2,23,24,27,31)