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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)Cl

InChI

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