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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-ethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C20H22ClN3O3S/c1-3-7-18(25)22-13-10-11-15(21)16(12-13)23-20(28)24-19(26)14-8-5-6-9-17(14)27-4-2/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,25)(H2,23,24,26,28)