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

Systemtic Name: 4-chloranyl-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O4S/c1-27(14-15-7-3-2-4-8-15)22(30)17-9-5-6-10-19(17)25-23(33)26-21(29)16-11-12-18(24)20(13-16)28(31)32/h2-13H,14H2,1H3,(H2,25,26,29,33)