N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O3S/c1-3-5-18(26)23-13-7-8-14(21)16(11-13)24-20(29)25-19(27)12-6-9-17(28-4-2)15(22)10-12/h6-11H,3-5H2,1-2H3,(H,23,26)(H2,24,25,27,29)