N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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