N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-2-7-24(30)27-20-12-14-21(15-13-20)28-26(34)29-25(31)19-8-6-11-23(18-19)33-17-16-32-22-9-4-3-5-10-22/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,27,30)(H2,28,29,31,34)