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

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H19BrClN3O3S MolecularWeight: 484.79446

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O3S/c1-3-4-17(25)22-12-6-7-14(21)15(10-12)23-19(28)24-18(26)13-9-11(20)5-8-16(13)27-2/h5-10H,3-4H2,1-2H3,(H,22,25)(H2,23,24,26,28)