3-chloranyl-4-ethoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S2/c1-3-17(26)24-19(29)22-13-6-8-14(9-7-13)23-20(30)25-18(27)12-5-10-16(28-4-2)15(21)11-12/h5-11H,3-4H2,1-2H3,(H2,22,24,26,29)(H2,23,25,27,30)