N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-5-17(25)22-12-6-7-13(21)14(10-12)23-20(30)24-19(26)11-8-15(27-2)18(29-4)16(9-11)28-3/h6-10H,5H2,1-4H3,(H,22,25)(H2,23,24,26,30)