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

Systemtic Name: N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S/c1-26(15-16-8-3-2-4-9-16)22(29)17-10-7-11-18(14-17)24-23(32)25-21(28)19-12-5-6-13-20(19)27(30)31/h2-14H,15H2,1H3,(H2,24,25,28,32)