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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: 2-chloro-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C18H16Cl2IN3O2S MolecularWeight: 536.21401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2IN3O2S/c1-2-3-16(25)22-11-5-7-14(20)15(9-11)23-18(27)24-17(26)12-8-10(21)4-6-13(12)19/h4-9H,2-3H2,1H3,(H,22,25)(H2,23,24,26,27)