N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S/c1-19(2,3)23-17(26)12-6-4-5-7-14(12)21-18(29)22-16(25)11-8-9-13(20)15(10-11)24(27)28/h4-10H,1-3H3,(H,23,26)(H2,21,22,25,29)