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

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-4-19(26)23-14-7-8-17(22)18(11-14)24-21(30)25-20(27)13-9-15(28-5-2)12-16(10-13)29-6-3/h7-12H,4-6H2,1-3H3,(H,23,26)(H2,24,25,27,30)