4-chloranyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H20ClN5O5S MolecularWeight: 477.9213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O5S/c1-11(2)9-17(27)22-14-6-3-12(4-7-14)19(29)24-25-20(32)23-18(28)13-5-8-15(21)16(10-13)26(30)31/h3-8,10-11H,9H2,1-2H3,(H,22,27)(H,24,29)(H2,23,25,28,32)