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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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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=C2OCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C26H26ClN3O3S/c1-2-8-24(31)28-19-13-14-21(27)22(17-19)29-26(34)30-25(32)20-11-6-7-12-23(20)33-16-15-18-9-4-3-5-10-18/h3-7,9-14,17H,2,8,15-16H2,1H3,(H,28,31)(H2,29,30,32,34)