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

Systemtic Name: 3-bromanyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

Click to see the large picture

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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-14(2)10-11-30-19-9-6-16(13-18(19)23)21(28)24-22(31)26-25-20(27)12-15-4-7-17(29-3)8-5-15/h4-9,13-14H,10-12H2,1-3H3,(H,25,27)(H2,24,26,28,31)