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

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

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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)OC(C)CC

Isomeric SMILES

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

InChI

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