N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C19H19ClIN3O2S MolecularWeight: 515.79553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClIN3O2S/c1-3-4-17(25)22-13-7-8-14(20)16(10-13)23-19(27)24-18(26)12-6-5-11(2)15(21)9-12/h5-10H,3-4H2,1-2H3,(H,22,25)(H2,23,24,26,27)