3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C21H23BrClN3O3S/c1-13(2)9-10-29-18-8-5-15(12-17(18)22)20(28)24-21(30)26-25-19(27)11-14-3-6-16(23)7-4-14/h3-8,12-13H,9-11H2,1-2H3,(H,25,27)(H2,24,26,28,30)