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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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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=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H26ClN3O4S/c1-2-7-24(31)28-19-12-13-22(27)23(17-19)29-26(35)30-25(32)18-8-6-11-21(16-18)34-15-14-33-20-9-4-3-5-10-20/h3-6,8-13,16-17H,2,7,14-15H2,1H3,(H,28,31)(H2,29,30,32,35)