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

Systemtic Name: 3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

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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(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O3S/c1-4-5-19(27)24-14-7-8-16(23)17(11-14)25-21(30)26-20(28)13-6-9-18(15(22)10-13)29-12(2)3/h6-12H,4-5H2,1-3H3,(H,24,27)(H2,25,26,28,30)