2-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-5-nitro-benzamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-10(2)16(24)20-11-4-3-5-12(8-11)21-18(28)22-17(25)14-9-13(23(26)27)6-7-15(14)19/h3-10H,1-2H3,(H,20,24)(H2,21,22,25,28)