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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

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