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

Systemtic Name: 4-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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