3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

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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)OCCOC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O4S/c1-3-4-19(27)24-14-6-7-16(23)17(12-14)25-21(31)26-20(28)13-5-8-18(15(22)11-13)30-10-9-29-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H2,25,26,28,31)