4-butoxy-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CC)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-3-5-12-28-16-9-6-14(7-10-16)20(27)25-21(29)24-18-13-15(8-11-17(18)22)23-19(26)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,24,25,27,29)