N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-3-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=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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