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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: 3-butoxy-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-3-5-12-29-17-9-6-8-15(13-17)21(28)26-22(30)25-19-14-16(10-11-18(19)23)24-20(27)7-4-2/h6,8-11,13-14H,3-5,7,12H2,1-2H3,(H,24,27)(H2,25,26,28,30)