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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C19H19ClIN3O3S MolecularWeight: 531.79493

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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)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClIN3O3S/c1-3-4-17(25)22-12-6-7-13(20)15(10-12)23-19(28)24-18(26)11-5-8-16(27-2)14(21)9-11/h5-10H,3-4H2,1-2H3,(H,22,25)(H2,23,24,26,28)