N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C21H24ClN3O3S/c1-4-19(26)23-15-8-9-17(22)18(11-15)24-21(29)25-20(27)14-6-5-7-16(10-14)28-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,26)(H2,24,25,27,29)